university of cagliari department of physics · dipartimento di fisica - cittadella universitaria,...

UNIVERSITYofCAGLIARIDepartmentofPhysics

DipartimentodiFisica-CittadellaUniversitaria,09042Monserrato(Ca)Telephone:+390706754703,Fax:+39070510171,Email:[email protected]

RESEARCHPLAN2016-2018ofthe

DEPARTMENTofPHYSICS

AsapprovedonMarch10,2016



Index

1. OUTLOOK ...................................................................................................................................................................... 3 2. RESEARCH DOMAINS ACCORDING TO "EUROPEAN RESEARCH COUNCIL" (ERC) .................................... 5 3. RESEARCH PLAN ......................................................................................................................................................... 8 Domain "Physics of fundamental interactions" ........................................................................................................ 8 Sub-domain 02A1 "Experimental physics of fundamental interactions" ........................................................... 8 Sub-domain 02A2 "Theoretical high�energy physics" ................................................................................... 14 Domain “Condensed matter physics” ..................................................................................................................... 24 Sub-domain 02B1 "Experimental condensed matter physics" ......................................................................... 24 Sub-domain 02B2 "Theoretical condensed matter physics" ............................................................................. 39 Sub-domain 02B3 "Applied physics" ............................................................................................................... 51 Domain "Astronomy, astrophysics, and physics of earth and planets" .................................................................. 54 Sub-domain 02C1 "Astronomy, astrophysics, and physics of earth and planets" ............................................ 54 Domain "Analytical and physical chemistry" ........................................................................................................ 58 Sub-domain 03B1 "Principles of chemistry and inorganic systems" ............................................................... 58



1.OUTLOOKTheDepartmentofPhysics(DSF)oftheUniversityofCagliari(UniCa)istheonlyacademicinstitutioninSardegnawhosemission isaddressedtoresearchandhighereducation in thedomainofphysicalsciences.As such,DSFwill play a key role in promoting culture, formation, and research in physicswithlargeimpactontheregionalsystem.Atpresent,theDSFresearchstaffconsistsin:

• 7fullprofessors(PO)• 18associateprofessors(PA)• 10tenuredassistantprofessors(RC-TI)• 5non-tenuredassistantprofessors(RC-TD)

Inaddition,theDSFworkforceincludesapproximatelytenPostDocs,twentyPh.D.students,andtengraduatestudentsinmedicalphysics.Based on experimental, theoretical, and computational research activities, DSF will develop newadvanced knowledge (curiosity-driven as well as application-oriented) in high-energy, condensedmatter,andappliedphysics,aswellasinastrophysics.Specific informationaboutresearch lines,networksofnationaland internationalcollaborations,andongoingprojectsisreportedinthisdocument.Researchplansaregroupedaccordingtothe"Domain"and"Sub-domain"systemadoptedbytheItalianMinistryforUniversityandResearch(MiUR)andtheyare listed, with reference to the principal investigator, in alphabetical order. In addition, they arelabelledaccordingtotheclassificationschemeadoptedbythe"EuropeanResearchCouncil"(ERC).DSFwillguestandcollaboratewiththelocalsectionsofItalianInstituteofNuclearPhsyics(INFN),theItalian Institute of Astrophysics (INAF), and two institutes belonging to the National Council ofResearch (CNR), namely: the Institute "Materials Forgery" (IOM) and the Institute for AtmosphericSciencesandClimatology(ISAC).



2.RESEARCHDOMAINSACCORDINGTO"EUROPEANRESEARCHCOUNCIL"(ERC)

The researchactivitiesherepresentedare labelledaccording to thegeneral classification schemeof"EuropeanResearchCouncil"(ERC).BelowisreportedtheERCsynopsisforthephysicalscience

PE2Fundamentalconstituentsofmatter:particle, nuclear, plasma, atomic, molecular, gas,andopticalphysicsPE2_1FundamentalinteractionsandfieldsPE2_2Particlephysics

PE2_3 Nuclear physics

PE2_4NuclearastrophysicsPE2_5GasandplasmaphysicsPE2_6ElectromagnetismPE2_7Atomic,molecularphysicsPE2_8OpticsandquantumopticsPE2_9LasersandlaserphysicsPE2_10AcousticsPE2_11RelativityPE2_12ClassicalphysicsPE2_13ThermodynamicsPE2_14Non-linearphysicsPE2_15Generalphysics

PE3Condensedmatterphysics:structure, electronic properties, fluids,nanosciencesPE3_1StructureofsolidsandliquidsPE3_2 Mechanical and acoustical properties ofcondensedmatterPE3_3ThermalpropertiesofcondensedmatterPE3_4TransportpropertiesofcondensedmatterPE3_5 Electronic properties of materials andtransportPE3_6LatticedynamicsPE3_7SemiconductorsPE3_8SuperconductivityPE3_9SuperfluidsPE3_10SpintronicsPE3_11MagnetismPE3_12 Nanophysics: nanoelectronics,nanophotonics,nanomagnetismPE2_16MetrologyandmeasurementPE3_13MesoscopicphysicsPE2_17Statisticalphysics(gases)PE3_14MolecularelectronicsPE3_15Softcondensedmatter(liquidcrystals...)PE3_16 Fluid dynamics (physics) PE3_17Statisticalphysics(condensedmatter)PE3_18Phasetransitions,phaseequilibriaPE3_19Biophysics



PE4 Physical and Analytical Chemicalsciences:analytical chemistry, chemical theory, physicalchemistry/chemicalphysicsPE4_1PhysicalchemistryPE4_2NanochemistryPE4_3 Spectroscopic and spectrometrictechniquesPE4_4MoleculararchitectureandStructurePE4_5SurfacesciencePE4_6AnalyticalchemistryPE4_7ChemicalphysicsPE4_8ChemicalinstrumentationPE4_9 Electrochemistry, electrodialysis,microfluidicsPE4_10CombinatorialchemistryPE4_11MethoddevelopmentinchemistryPE4_12CatalysisPE4_13PhysicalchemistryofbiologicalsystemsPE4_14 Chemical reactions: mechanisms,dynamics,kineticsandcatalyticreactionsPE4_15TheoreticalandcomputationalchemistryPE4_16RadiationchemistryPE4_17NuclearchemistryPE4_18Photochemistry

PE5MaterialsandSynthesis:materialssynthesis,structure-propertiesrelations,functional and advanced materials, moleculararchitecture,organicchemistryPE5_1StructuralpropertiesofmaterialsPE5_2SolidstatematerialsPE5_3SurfacemodificationPE5_4ThinfilmsPE5_5CorrosionPE5_6PorousmaterialsPE5_7IonicliquidsPE5_8 Newmaterials: oxides, alloys, composite,organic-inorganichybrid,superconductorsPE5_9MaterialsforsensorsPE5_10Nanomaterials:nanoparticles,nanotubesPE5_11BiomaterialssynthesisPE5_12 Intelligent materials – self assembledmaterialsPE5_13EnvironmentchemistryPE5_14CoordinationchemistryPE5_15ColloidchemistryPE5_16BiologicalchemistryPE5_17ChemistryofcondensedmatterPE5_18 Homogeneous and heterogeneouscatalysisPE5_19CharacterizationmethodsofmaterialsPE5_20Macromolecularchemistry,PE5_21PolymerchemistryPE5_22SupramolecularchemistryPE5_23OrganicchemistryPE5_24Molecularchemistry



PE9Universesciences:astro-physics/chemistry/biology; solar system;stellar, galactic and extragalactic astronomy,planetary systems, cosmology; space science,instrumentationPE9_6StarsandstellarsystemsPE9_10Highenergyandparticlesastronomy–X-rays,cosmicrays,gammarays,neutrinosPE9_11RelativisticastrophysicsPE9_15SpaceSciencesSH2Institutions,values,beliefsandbehaviour:sociology,socialanthropology,politicalscience,law,communication,socialstudiesofscienceandtechnologySH2_14Historyofscienceandtechnology

LS2Genetics,Genomics,BioinformaticsandSystemsBiology:genetics,populationgenetics,moleculargenetics,genomics,transcriptomics,proteomics,metabolomics,bioinformatics,computationalbiology,biostatistics,biologicalmodellingandsimulation,systemsbiology,geneticepidemiologyLS2_11ComputationalbiologyLS7Diagnostictools,therapiesandpublichealth:aetiology,diagnosisandtreatmentofdisease,publichealth,epidemiology,pharmacology,clinicalmedicine,regenerativemedicine,medicalethicsLS7_2Diagnostictools(e.g.genetic,imaging)LS7_11Environmentandhealthrisksincludingradiation



RESEARCHPLANDomain"Physicsoffundamentalinteractions"

Sub-domain02A1"Experimentalphysicsoffundamentalinteractions"



1.ResearchtitleProductionandcharacterizationof thequarkgluonplasma inultra-relativisticheavyioncollisions2.Principalinvestigators AlessandroDeFalco,GianlucaUsai3.ResearchteamAssociatedprofessors GianlucaUsai,AlessandroDeFalcoPostdocs FiorellaFionda,EsterCasula,ElisaIncaniINFNresearchers AlbertoMasoni(DirettorediRicerca),Corrado

Cicalò(PrimoRicercatore),SabyasachiSiddhanta(tecnologo),CarloPuggioni(grantposition),DanieleMura(grantposition)

4.ERC(EuropeanReserachCouncil)researchclassificationscheme

PE2_1 PE2_2 PE2_35.Keywords

HeavyIonCollisions QuarkGluonPlasma ALICELHC6.NationalandinternationalcollaborationsonthistopicThe team is part of the ALICE international collaboration, LHC, CERN. It collaborates with CERNgroups,Frenchgroups (Saclay,Nantes, Strasburgo,Lione),Torino (INFN,University),Padova (INFN,University),Bari(INFN,University),Heidelberg.7.AbstractTheteamresearchisfocusedontheexperimentalprogramoftheALICEexperimentattheCERNLHC.Forthe2016-2108period,theactivitieswillrangefromthestudyofmuonpairstothedesignofanewsiliconpixeldetector.The teamwill also studyanewspectrometer tomeasuremuonproductionatlowenergiesattheCERNSPS.8.Frameworkandstate-of-the-artIn a ultra-relativistic heavy ion collision (Pb-Pb or Au-Au), a large number of nucleons interactdepositingalargeenergy(oftheorderof1GeV)inarathersmallvolume(oftheorderof1fm3).Thiscanleadtotheproductionofaplasmawithdeconfinedquarksandgluons,havingpropertiessimilartotheplasmaformedinthefirststagesoftheUniversebirth,around3µsafterthebigbang.Inthelast20years, thepropertiesof thequarkgluonplasmawere studied first at theCERNSPSand thenat theRHICcollideratBNL.PresentlytheLHCcanaccelerateheavyionsatthelargestenergyeverreached(2.76 TeV/nucleon). Several experiments (ALICE, CMS e ATLAS) are performing new importantmeasurementsinthisnewunexploredenergyregime. 9.Researchdescription,milestones,andgoals



The research team is partecipating to heavy ion experiments, in particular focused on muon pairproduction,since15years.Muonpairscanbeproducedfromthedecaysoflightmesonsastheρ(770),ω(780)eφ(1020)orheavierastheJ/ψ(3100),whosepropertiescanbesubstantiallymodifiedbytheplasmamedium.Theproductionof charmandbeauty is also very interesting since it allowsone tostudy the production, propagation and hadronization mechanisms of heavy quarks in the densenuclearmediumproducedintheheavyioncollisions.ALICEexperimentThe ALICE experiment is aworld-wide involvingmore than 80 research institutes and about 1000researchers.During 2016-18 a new campaign of measurements of proton-Pb and Pb-Pb collisions will beperformed. Within the approved experimental program, the research team will be involved in thefollowingactivities:• Datatakingproton-Pb,Pb-Pb

• Developmentof computing infrastructuresbasedon theGRID technology fordataanalysisanddatareconstruction.

• Studyoflowmassdimuonproductioninp-PbandPb-Pbcollisions(M<1.2GeV/c2)• Analysisofp-pcollisionswithhighchargeparticlemultiplicity• MaintainanceoftheMuonArmandZeroDegreeCalorimeters(ZDC)detectors.

Besidesthoseactivities,theteamisalsoinvolvedindevelopmentofanewpixelvertexdetector.TheprojectwasapprovedbytheLHCCscientificcommitteeduringthe2012fall.Thisdetectorwillallowtheproductionofcharmandbeautymesonsandbaryonstobemeasuredveryprecisely.Theteamwillbeinvolvedinthefollowingactivities:

• DevelopmentandcharacterizationofnewpixeldetectorsResponsibiitieswithinthecollaboration:

• MemberoftheexperimentEditorialboard(G.Usai)• ConveenerofthePhysicsAnalysisWorkinggroupinchargefortheanalysisof lowmassmuonpairs

(A.DeFalco)G.UsaiisPIoftheproject“StudyofmonolithicpixelsensorsformeasurementsinhighenergynuclearcollisionsattheCERNLHC”(fundedbySardiniaregion).A. De Falco is responsible for the Cagliari unit of the project PRIN Development of computingtechnologiesfortheoptimisationofaccesstoLHCdataandforthetechnologytransfertowardsotherresearchareasusingthegridandcloudcomputingapproach.NA60experimentThe NA60 experiment at the CERN SPS has been directed by G. Usai and the data analysis of theproton-nucleus data is still on-going. Two papers should be submitted in 2016-2017. At present afeasibility study is under way for a newmuon spectrometer devoted to the investigation of chiralsymmetryrestorationandthefirstordertransitionofthehadronicmatterphasediagram.AnewPRINprojecthasbeensubmitted,asacontinuationofthepreviousleadbyG.Usai(2011-13).TheproposalisalsounderdiscussionwiththeitalianheavyioncommunitywithintheINFN“WhatNext”initiative.1.ResearchtitlePhysics of quarks and leptons: Heavy Flavours at LHCb Novel techniques for axion detection



2. Principal investigators Biagio Saitta 3. Reasearch team

Full professors Biagio Saitta Associate professors Assistant professors Rudolf Oldeman Post-docs PhD students Violetta Cogoni, Claudia Vacca

4. ERC (European Research Council) classification scheme

PE2_1 PE2_2

5. Keywords Flavour Physics LHC Axions

6. National and international collaborations - W. Bonivento, S. Cadeddu, A. Cardini, and A. Lai, researchers from the local section of the Istituto Nazionale di Fisica Nucleare (INFN) and the post-doc M. Fontana, operating under the framework agreement between INFN and the University of Cagliari, are integral part of the group. - For the LHCb experiment: INFN, CERN and about 50 Institutions from 14 different countries (Europe, Brazil, China, US) - For detectors development (principal investigator A. Lai) : University and INFN Padova, Pisa, Ferrara, Napoli. 7. Abstract During the next three years the group will pursue a wide range of topics related to the physics of heavy flavours, using data collected by the LHCb experiment at CERN in the years 2011-2012 enriched and statistically enlarged in a significant manner with new data acquired at the highest energy in the centre of mass ever reached at an accelerator. In particular it will address charm physics and rare decays of both charmed and B-mesons. In addition the group will contribute to the foreseen upgrade of the LHCb experiment, in particular of its muon detector, taking advantage of the recognised expertise of some of its members in the development of detectors and electronics. The development of novel detectors using scintillating fibres within the INFN project “Axioma” it is also expected.

8. stateoftheart Flavour physics is at the heart of several long-standing fundamental questions of particle physics and cosmology: What is the origin of the asymmetry between matter and antimatter in the universe? What is the solution of the hierarchy problem, the mechanism that quantum corrections to the mass of the Higgs boson require extreme fine tuning to separate it from the Planck scale?



With the discovery of the Higgs boson, the picture described by the Standard Model of particle physics is complete. To date, with few notable exceptions (one of which is the phenomenon of neutrino oscillations), there is no evidence for processes that can not be explained within the Standard Model thus requiring the existence of what is called “new physics”. Besides the observation, following direct production, of new particles whose existence is predicted by theories beyond the standard model – which is still possible at the higher energies available at present in proton-proton collisions at the accelerator LHC – evidence of new physics may be obtained indirectly through the analysis of decays of mesons and baryons containing heavy quarks and that are rare or forbidden in the Standard Model. Such decays, when mediated by new particles, would occur at a larger rate than predicted by the Standard Model. The yield of particles containing heavy quarks (b and c) in the LHCb experiment is now orders of magnitude higher than achieved so far at any previous accelerator and with the increased statistics and with data at higher energies it will be possible to perform a wide range of measurements of unprecedented precision and to search for very rare decay modes and detect anomalies when compared to the Standard Model. A small discrepancy from Standard Model predictions has been observed in an observable in the angular distribution of the decay B→K*µµ. Furthermore the ratio between the rate of this decay and the equivalent B→K*e e seems to differ from unity suggesting a violation of lepton universality.

The axion is a particle postulated to resolve the problem of CP violation in Quantum ChromoDynamics. It could be one of the components of (cold) dark matter. However it has never been observed. It is proposed to develop, on a time scale of a few years, detectors featuring a novel technique that could be used for experiments aimed at the observation of axions. 9.Researchdescription,milestones,andgoalsLHCb – analyses. The new data sample recorded in 2015-2017 by LHCb will be used both to update and improve existing measurements and to start new analyses. In particular it is foreseen:

• To update the measurements of the ratio of branching fractions B→K*µµ to B→K*e e.• To update the measurement of the absolute branching fraction of the decay Λc→p K π using the

novel method developed for this purpose. • To measure for the first time the branching fraction of the decay B→ p π π Σc(2520)

and if some conditions on the polarization are satisfied, to measure the spin of the Σc(2520). • To analyse the decay of the neutral D-meson into two muons and into two muons plus two pions,

taking advantage of the excellent muon identification capabilities of the LCHb detector with the intent of setting the best world limit on this decay modes.

• To improve the algorithms for muon identification. LHCb –upgrade. A major upgrade of the LHCb experiment is being prepared for the data taking periods from 2019 onwards, in which it is envisaged that the detector will be read out at 40MHz instead of the present 1 MHz. This will allow running at 2.5 to 5 times the present luminosity, increasing the efficiencies for hadronic B decays. The group is involved in the upgrade of the muon detection system which requires a modification of the electronics used for the readout. Several members of the group have recognised leadership roles within the international collaboration and therefore are in a position to ensure the achievement of these goals.



RESEARCHPLANDomain"Physicsoffundamentalinteractions"

Sub-domain02A2"Theoreticalhigh-energyphysics"1.ResearchtitleBlackholesandthegravity/gaugetheorycorrespondence2.PrincipalinvestigatorsMARIANOCADONI3.Reasearchteam

Fullprofessors Associateprofessors MARIANOCADONI

Assistantprofessors Post-docs PhDstudents EDGARDO FRANZIN, MATTEO TUVERI,

PARULJAIN

4.ERC(EuropeanResearchCouncil)classificationscheme

PE2_1Fundamentalinteractionsandfields

PE2_11Relativity

5.Keywords

Buchineri

Corrispondenzagravità/teoriedigauge

6.NationalandinternationalcollaborationsS.Mignemi,Dip.Matematica,UniversitàdiCagliari;V.CardosoIST,Lisbona;P.OllaCNR7.AbstractWeplantousethegravity/gaugetheorycorrespondencetoinvestigateseveralinterestinghotproblemsofhighenergytheoreticalphysics:1. Holographicdescriptionofcriticalsystems2. Domainwall/cosmologycorrespondence43. Microscopicentropyofblackholesandotherextendedobjects4. Entanglemententropyofblackholes5. ShearviscositytoentropyratioinQFTwithgravitationalduals8.State-of-the-artInthelargeNlimittheconjecturedstringtheoryinAdS/gaugetheorycorrespondencereducestoa



duality between Anti-deSitter (AdS) gravity in thebulkandaquantum field theory (QFT) in theboundary(gravity/gaugetheorycorrespondence).Inthisformthedualityispowertoolfromtwodifferentpointsofview.Ontheoneside,itallowstodescribeholographicallystronglycoupledQFTsjustbyinvestigatingaclassicaltheoryofgravity.Ontheotherside,itallowstogaininformationonthesemiclassical regimeof interestinggravitational systems suchasblackholes by investigatingdualQFTs. In fact in recentyears this correspondencehas beenused to tackle,holographically, awidevariety of problems ranging from superconductors, charge transport features of metals, criticalsystems, nonperturbative featuresofQCD, derivationofmicroscopicandentanglemententropyofblackholes.Thepowerofholographicmethodsisfarreachingandrepresentsapromisingtoolforsolvingseveralhotproblemsofhighenergytheoreticalphysics.9.Researchdescription,milestones,andgoalsThe research activity in the next three years will be focused on different aspects, problems andapplicationsofthegravity/gaugetheorycorrespondence.Hereisashortdescriptionofthedifferentresearchlines. HolographicdescriptionofcriticalsystemsRecentlyithasbeenshownthathyperscalingviolationisaquitegenericholographicfeatureofbroadclasses of Einstein-Maxwell-scalar gravity with fields coupled in several ways when the potentialbehaves exponentially. Our aim is to give a general holographic description of the Hyperscalingviolationincriticalsystem.Thiswillbeachievedworkingbothonthegravitybulkside(forinstanceby working out analytical or numerical solutions) and the QFT side (for instance by computingcriticalexponentsandtransportfeaturessuchastheshearviscovitytoentropyratio)oftheduality.

Domainwall/cosmologycorrespondenceOneinterestingfeatureofabroadclassofEinstein-scalargravity,whichhavebeeninvestigatedbyusin recent times, is the existence of solitonic domain wall (DW) solutions interpolating smoothlybetweenanAdSspacetimeandofscale-covariantmetric.Ontheotherhandtheconjectureddomainwall /cosmology correspondence implies that these solutions should have a time-dependentcounterpartthatcouldbeveryinterestingforcosmologicalapplications(forinstanceinflationandthedarkenergyproblem).OurmaingoalhereistoderivethecosmologicalsolutionsdualtheDWandtoinvestigatetheirfeatures.

Microscopicentropyofblackholesandotherextendedobjects

Within this research line weplan to use the gravity/gauge theory correspondence for computingboththestatisticalentropyandtheentanglemententropyofblackholes.Althoughinrecentyearswehaveseenimprovementinthisdirection,therearestillmanyunsolvedopenproblems.Inparticular,weaim togainabetterunderstanding of the relationshipbetween the threeblackholeentropies:thermodynamical, statistical (Boltzmann), entanglement (Von Neumann).



1.Researchtitle3-dimensionalstructureofthenucleonandtransverse-singlespinasymmetries2.Principalinvestigator UmbertoD'Alesio3.Researchteam

Associateprofessor UmbertoD'Alesio 4.ERC(EuropeanResearchCouncil)researchclassificationscheme

PE2_1 PE2_2 5.Keywords

Nucleonstructure Partonicintrinisicmotion Quarkandgluons(QCD) 6.Nationalandinternationalcollaborationsonthistopic F.Murgia(INFN-CA),M.Anselmino,M.Boglione(Univ.Torino),A.Prokudin(PennStateUniv.,USA),E.Leader(ImperialCollege,UK),I.Scimemi(Univ.Complutense,Madrid,Spain),C.Pisano(Univ.Pavia),M.Echevarria(NIKHEF,Amsterdam);experimentalgroups(PAX,COMPASS,HERMES,JLAB,STAR,PHENIX,BELLE,BABAR).7.Abstract -Extraction(update)oftransversemomentumdistributions(TMDs)fromexperimentaldatainSIDISande+e-processes,withQ2evolutionandinclusionofkinematicalcorrections; -Estimatesofsinglespinasymmetries(SSAs)forDrell-YanprocessesandforinclusiveWbosonproduction -SSAsinlp→πXandroleofquasi-realphotonexchange -RoleofTMDsinSSAsforsingle-inclusivehadronandjet-hadronproductioninproton-protoncollisions; -Processdependenceeffectsandnon-universalityofTMDs8.Frameworkandstate-of-the-art Theunderstandingofthe3-dimensionalstructureofthenucleon,bothinmomentumandincoordinatespace,istheultimategoalofmanyongoingorplannedexperimentsandthefocusoftheoreticalactivitiesworldwide.Theexperimentsaremainlyhigh-energyscatteringsofpoint-likeleptonsoffprotonsandneutronsorinelasticcollisionsbetweennucleons.ThetheoreticalschemeinwhichtheseprocessesarestudiedisQCD,bothinitsperturbativeandnon-perturbativeaspects.Thecrosssectionsfortheaboveprocessesarewritten,accordingtoafactorizationtheorem,astheconvolutionofelementarypartonicinteractions-knownfromperturbativecalculationsintheStandardModelofstrongandelectro-weakinteractions-withPartonicDistributionandFragmentationFunctions(PDFsandFFs).Theseareunknown,buttheirevolutionwiththelargescaleQ2oftheprocesscanbecomputedinQCD.IndependentinformationontheFFscanbeobtainedfromotherprocesses,liketheannihilationofe+ande-intopairsofhadrons.Foralongtime,thePDFsandFFswereconsideredascollinearsplittingprocesses,whichcorrespondstoa1-dimensionalimagingofthenucleonasasimplesetofcollinearpartons.Recently,ithasbecome



moreandmoreclearthattheunderstandingofmanyexperimentalresults-inparticularthoseinvolvingspindegreesoffreedom-musttakeintoaccountthetransversedegreesoffreedom,thatistheintrinsicmotionofquarksandgluonsinsidethenucleons.Thisopensthewaytothestudyofthe3-dimensional(3D)structureofnucleons.Thecomplete3DinformationonthepartonicmomentumdistributionshasbeenencodedinTransverseMomentumDependentPartonicDistributionFunctions(TMD-PDFs).Inexperimentalobservables,theyareoftencombinedwithTransverseMomentumDependentFragmentationFunctions(TMD-FFs).Afullknowledgeofthepartonicdistributionsmustalsoincludetheirdependenceonhadronicandpartonicspin,relatedtosubtlespin-orbitcorrelationsofthestrongforce.Atleadingorderin1/QthereareeightTMD-PDFsand,forspinlessfinalhadrons,2TMD-FFs.Inthelast10-15yearsthefirstmeasurementsofazimuthalasymmetriesinSIDIS(lepton+nucleon-->lepton+hadron+X)processesbytheHERMES,COMPASSandJLabCollaborations,togetherwiththerelatedtheoreticalanalyses,havedefinitelyrevealedtheroleoftheTMDsandallowedthefirstextractionofsomeofthem.RecentresultsbytheBelleandBaBarCollaborationsine+e--->h1h2XprocesseshaveshowntheroleofTMD-FFs.ImportantdataareexpectedsoonfromtheDrell-YanprocessesatCOMPASSandRHIC.GreatexpectationsarelinkedtotheplannedfutureElectronIonColliderinUSAandtheAFTERexperimentatCERN.TheQCDpropertiesoftheTMDs,inparticulartheirQCDevolutionwithQ2,havebeenstudied:veryrecently,evenifcurrentphenomenologicalanalysespresentsomecontroversyandrequirefurtherdevelopments.Wearenowinanimportanttimeoftransitionfromafirstintroductoryphase,whichhasestablishedthebasicexperimentalevidenceandthetheoreticalframework,toanewprecisionphasefortheexplorationofthenucleon3Dstructure.9.Researchdescription,milestones,andgoals Amongthe8independentTMDatleadingtwist,besidesthe3survivinginthecollinearlimit,themoststudiedonesaretheSiversandtheBoer-Muldersfunctions,whichgive,respectively,thenumberdensityofunpolarized(transverselypolarized)partonsinsideatransverselypolarized(unpolarized)proton.Similarcorrelationscanoccurinthefragmentationprocess;forinstance,theCollinsfunctiongivesthenumberdensityofunpolarizedhadronsresultingfromthehadronizationofatransverselypolarizedquark.RecenttheoreticaldevelopmentsontheQCDevolutionofTMDswillallowimprovingtheirextractionsthroughdataanalysisofsemi-inclusivedeepinelasticscattering(SIDIS)ande+e-annihilationprocesses.AglobalfittingprocedurewillbedevelopedwithdedicatednumericalcodesleadingtonewandupdateextractionsoftheSiversandtheCollinsfunctions.[12-15months]Stronglyrelatedtothistask,wewillalsocomputetheoreticalestimatesofSSAsforDrell-YanprocessesandinclusiveWbosonproduction.These,whencomparedagainsttheforthcomingdatafromCOMPASSandRHICexperiments,wouldallowaclear,andstillmissing,testofthepredictedchangeofsignoftheSiversfunctionwhenmovingfromSIDIStoDrell-Yanprocesses.[6-8months]StilltowardsabetterunderstandingofthepropertiesoftheTMDs,inparticularoftheirnon-perturbativepart,animprovedanalysisoftheqTspectrainunpolarizedDrell-Yanprocesseswillbecarriedout.[6-9months]Severalsinglespinasymmetries(SSAs)havebeenobserved,sincealongtimeandatdifferentenergies,ininclusivehadronicinteractions,suchaspp→πX,wherethepionisproducedwithalarge



transversemomentum.Aphenomenologicaldescriptionoftheseasymmetries,basedonthegeneralizationofthecollinearfactorizationapproachtothecaseofTMDs,hasbeendevelopedwithagoodphenomenologicalsuccess.TheissueofwhetherornotthesameSiversandCollinsfunctions,asextractedfromdatainprocessesforwhichfactorizationhasbeenprovedtohold(likeSIDIS),mightcontributetotheSSAsinppisstillopenandwillbeunderdeeperinvestigation.[6-9months]Thestudyofazimuthaldistributionsofpionsinsidesingle-jetproducedatlargepTinppcollisionswillcontinue,withparticularattentiontothelatestexperimentalresultsfromRHIC,tohaveanothersourceofinformationonthetransversitydistributionandtesttheuniversalityofTMDs.[6-9months]Wewillalsostudytheimpactofquasi-realphotonexchangeinSSAforlp→πX(6months),aswellaspotentialsourcesofnon-universalityofTMDsbyincludinginitialandfinalstateinteractionsinhadronicprocessesfortheinclusiveproductionofpions,jets,photonsandboundstatesofthecharmquark[12-15months]



1.ResearchtitleStringdynamicsincurvedspacetimesandathighenergy2.PrincipalinvestigatorsGiuseppeD’Appollonio3.Reasearchteam

Fullprofessors Associateprofessors Assistantprofessors Post-docs PhDstudents


PE2_1 PE2_2

5.KeywordsSuperstringsandD-branes Holographicduality Higherspinfields

6.NationalandinternationalcollaborationsPaoloDiVecchia,Nordita(Stoccolma)eNielsBohrInstitute(Copenhagen)RodolfoRusso,QueenMaryUniversityLondon(London)GabrieleVeneziano,Cern(Geneva)eCollegedeFrance(Paris)7.AbstractTheaimofourresearchprojectistoclarifyhowclassicalgravityeffects,describedingeneralrelativitybythecurvatureofthespacetime,emergefromthestringtheoryamplitudesandhowstringdynamicsmodifiesclassicalgravitywhenthelatterlosesitsvalidity(e.g.nearaspacetimesingularitysuchasacosmologicalsingularity)orwheneverthereistensionbetweentheprinciplesofquantummechanicsandthegeometricaldescriptionofthespacetime(e.g.inthepresenceofaneventhorizon).8.state-of-the-artStringtheoryisoneofthemostpromisingapproachestoaquantummechanicaldescriptionofthegravitationalinteractions.Thespectrumofthetheoryincludesamasslessspin-twoparticle,whichcanbeidentifiedwiththegraviton,togetherwithaninfinitenumberofmassiveparticlesofhigherspin.Stringperturbationtheory,anexpansioninRiemannsurfacesofincreasinggenus,definesaunitaryscatteringmatrix.Constantadvancesinthefieldhavesignificantlyimprovedourunderstandingofwhattheessentialfeaturesofaquantumtheoryofgravityshouldbe.Themostfar-reachingdiscoveryisperhapstheholographicdualitybetweenstringtheoryinacurvedspacetimeandquantumfieldtheoryontheboundaryofthatspacetime.



9.Researchdescription,milestones,andgoalsOurresearchprojectaimsatclarifyinghowstringtheorymodifiestheclassicalgeometricdescriptionof the spacetimewhenever this descriptionbecomesunreliable or leads to conclusions inconsistentwith the principles of quantum mechanics. Our approach is based on the study of high energyprocesses in flat spacetime, in particular the collision of two ultra-relativistic closed strings or thecollisionofoneclosedstringwithastackofD-branes.Thisprovidesawell-definedframeworksincethe string S matrix ensures, at least in principle, the unitarity of the process. Even though thespacetime is initially flat, a curvature is induceddynamically by thehigh energyof theprobes, thatmakes the exchange of gravitons the dominant interaction between the two strings or between thestringandtheD-branes.At high energy it is necessary, in order to get consistent results, to resum the whole perturbativeseries. As shown by Amati, Ciafaloni e Veneziano in the case of string-string collisions, theresummationoftheleadingcontributionsinenergyleadstoaneikonaloperatorformfortheSmatrix.When the curvature radius of the spacetime is smaller than the string length, the eikonal operatorprovides a reliable description of the dynamics for every value of the impact parameter. In theopposite case, the eikonal operator captures only the limit of large impact parameter. The study ofcollisionsleadingtotheformationofablackholethusremainsanopenandchallengingproblem,sinceit is necessary to extract and resum a whole series of terms subleading in energy from the stringamplitudes.Inthe last fewyearsmyresearchactivitywasfocusedonthestring-branesystem.Thissystemisanexcellent framework to study the emergence of an effective geometry in string theory since the D-branespossessbothamicroscopicdescription(validatweakcoupling)intermsofopenstringsandageometric description (valid at strong coupling) in terms of a class of curved backgrounds calledextremal black branes. We showed that it is possible to reconstruct the metric from the stringamplitudesat the leadingandsubleadingorderandwealsoanalysed indetail the firstprocess thatsignalsadeviationfromclassicalgravity,theexcitationofthemassivestringmodescausedbythetidalforces.Thenextsteps in thisresearchprojectare thestudyof theabsorptionof theclosedstringbytheD-branes [18 months] and the analysis of the effects of the tidal forces at the subleading order [18months]. Concerning the first point, we plan to identify at the quantum and semiclassical level theopen string state created on the branes, at tree level first and then taking into account thefragmentationinducedbythehighertermsoftheperturbativeseries.RelyingonthisresultweshouldbeabletoconstructaunitarySmatrixthatinanarrowresonanceapproximationcansimultaneouslyaccountfortheelasticscattering,thetidalexcitationsandtheabsorptionprocess.Wewouldalsoliketo investigate whether the excited D-brane system could provide a microscopic description of thenear-extremalblackbranes.Concerning the secondpoint,weplan to clarifywhether theagreementbetweenthestringamplitudesandthebackgroundmetricpersistsornotatthesubleadingorderalsoforthetidalexcitationsandtodevisemethodstocalculatetheamplitudesatsmallimpactparameter.



1.Researchtitle AstroparticlePhysics:DarkMatterandWIMP,signaldirectionalityinDarkSide2.Principalinvestigator AlbertoDevoto3.Researchteam

Fullprofessors Associatedprofessors AlbertoDevotoAssistantprofessors Qui,Quo,Qua,...Postdocs Ph.D.students MatteoCadeddu,Mauro

Caravati

4.ERC(EuropeanReserachCouncil)researchclassificationschemePE_2 PE_4

5.KeywordsDarkMatter Directionality

6.Nationalandinternationalcollaborationsonthistopic M.Lissia,M.Razeti,researchersatthelocalsectionoftheIstitutoNazionalediFisicaNucleare(INFN),operatingundertheframeworkagreementbetweentheUniversityofCagliariandINFN,areintegralpartofthegroup.Researcherscomingfrommorethan50Institutionsfrom10countries(Europe,Brazil,China,andtheUnitedStatesofAmerica)areactivelyengagedinDarkSide.7.Abstract DuringthenextthreeyearsDarkSide50(thedetectorcurrentlyinuse)willcontinuecollectingdataand,inparallelwillcontinuethedataanalysis.Overthesametimeframewewillworkonthedesignandtheconstructionofanewmuchlargerdetector:DarkSide20K.8.Frameworkandstate-of-the-art Awiderangeofastronomicalevidenceimpliestheexistenceofdarkmatter,butasyetthenatureofthismajorcomponentoftheuniverseiscompletelyunknown.Thelargemajorityofphysicistsbelievesthatabout85%ofthematterintheuniverseisofakindwhichdoesnotabsorboremitelectromagneticwaves::i.e.darkmatter.Mostphysiciststhinkthatdarkmatterismadeofweaklyinteractingmassiveparticles(WIMP’s)whosenatureisstillunknown.Atthepresenttimetherearemanyexperimentsengagedinthesearchforsuchparticles,usingdifferenttechniques.DarkSideisoneoftheexperimentsaimingforthedirectobservationofWIMP’sthroughtheircollisionswiththenucleicontainedinthedetector.Forthisreasonitisnecessaryofhighlypurifiedmaterials,freeforany“backgroundnoise”suchasthatproducedbylowlevelsofradioactivity(neutronemissions).Since



WIMPSareveryweaklyinteracting,itisnecessarytohavelargedetectors.TheresultsprovidedsofarbyDarkSide50indicatethatalargerdetector–suchasDarkSide20k-mayprovideimportantcontributionsinthesearchforDarkMatter.9.Researchdescription,milestones,andgoals Thegoalofthisprojectcanbeachievedonlyusingextremelypurematerialsandhighsensitivitydetectors.Inparticularthematerialusedintheconstructionofthedetectoranditssensitiveparthastobefreefromanysourceofneutronemitters.Duringthedatarunof2015,theresultssofarobtainedbyDarkSide50haveshownsuccessofthetechniquesdevelopedbythecollaborationinordertoeliminatetheisotopeAr39fromthegas. Intheinitialphasethecollaborationwilldesignandbuildthedetectorinfrastructure,andthespecialphotomultipliersnecessaryforrevealingthephotonsproducedinthecollisionsbetweenWIMO’sandArnuclei. Between2016and2018thecollaboration,andinparticulartheCagliariunit,willbeinvolvedintheplantnecessaryfortheproductionofArgonwithultralowlevlsofAr-39.A300mhighdistillationtowerwillbebuiltinSardiniaandArgondistillationwillbegininthefirsthalfof2017. TheefficiencyandefficacyofthedistillationprocesswillbestudiedincollaborationwiththeMechanical,ChemicalandMaterialsengineeringdepartmentoftheUniversityofCagliari.ThefirstresultsofthequalityoftheArgonwillbeavailableinearly2018. ThelocalgroupwillalsostudyfromthetheoreticalpointofviewmethodsfordetectingthedirectionalityofWIMPS.



RESEARCHPLANDomain“Condensedmatterphysics”

Sub-domain02B1"Experimentalcondensedmatterphysics"



1.ResearchtitleNanomaterialsforphotonicsandsustainableenergy2.PrincipalinvestigatorsG.Bongiovanni,A.Mura,F.Quochi,M.Saba3.Reasearchteam

Fullprofessors G.BongiovanniAssociateprofessors A.Mura,F.Quochi,M.SabaAssistantprofessors Post-docs D.MarongiuPhDstudents X.Chang,V.Sarritzu,N.Sestu


PE3_12 PE4_3 PE5_4

5.KeywordsNanomaterials Photonics Sustainableenergy

6.NationalandinternationalcollaborationsC.Simbrunner,H.Sitter,W.Heiss, InstituteofSemiconductorandSolidStatePhysics, JohannesKeplerUniversity Linz (A); N.S.Sariciftci, Linz Institute for Organic Solar Cells (LIOS) Physical ChemistryJohannes Kepler University Linz(A); H.-G.Rubahn, Mads Clausen Institute, South Danish UniversitySonderborg (DK); M.A.Loi, Zernike Institute for Advanced Materials, University of Groningen,Groningen, (NED); H. Yanagi, Nara Institute of Science and Technology (NAIST), Nara (JP);M.V.Kovalenko,D.V.Talapin,DepartmentofChemistry,UniversityofChicago,Chicago,USA;A.Mattoni,Istituto Officina dei Materiali del Consiglio Nazionale delle Ricerche (CNR-IOM) Unità SLACS,Monserrato, (IT); C.Cannas, A.Corrias, F.Casula, P.Deplano, M.L.Mercuri, A.Musinu, A.Serpe,DipartimentodiScienzeChimicheeGeologiche,Monserrato(IT).7.AbstractWedevelopnovelmaterials for sustainable energy andadvancedphotonics.Research activitieswillconcern the design and photophysics of following materials: (i) hybrid metal-organic halideperovskitesforadvancedsolarcells,LEDsandlasers;(ii)all-organicnanophotoniclasersandsurface-plasmonnanolasers; (iii) lanthanidecomplexes forefficientNIR lightemissionandofporousmetal-organicframeworkswithluminescentbuildingblocksforopticalsensingofsmallmolecules.8.state-of-the-artNanomaterials andmolecular semiconductorsare lowcost, easyprocessablematerialswith tunableand size-controlled optical and electronic properties. Solar energy conversion, energy-saving lightsources, quantum information, nanophotonic circuits, bio-imaging are just a few of the applicationsthesematerialshavebeendevisedfor.Theplannedresearchactivityisaddressedtothedevelopment



of nanomaterials for low-cost solar energy conversion, novel light sources, chemical sensing andopticalimaging.9.Researchdescription,milestones,andgoals

Hybridhalideperovskitesareanovelcrystallinesemiconductorscombiningtheadvantagesoforganicmaterials,suchaseasyandpotentiallycheapmanufacturing,andthosepossessedbyinorganiccompounds,i.e.robustnessandanexcellent,balancedambipolarchargetransportcharacter.Weplanon ultrafast spectroscopy techniques such as transient absorption and time-resolvedphotoluminescence, employing laser pulses with different durations and repetition rates, toinvestigate the optoelectronic phenomena in perovskites. The scientific outcome will be theknowledge of materials parameters that control the lifetime in the excited state and unwantedrecombinationchannelswiththeaimtofindstrategiestoincreaselightemissionandphotoconversionefficiencies.

Wewill investigateheterostructured epitaxial nanofibers composedof organic oligomers, aspromisingmaterials for nanolasers.Our goalwill be to demonstrate low-threshold laser action andlasingwithanactivevolumesmaller thanthesizeofopticalwavelength.Thesubwavelengthregimewillbeexploredthroughcouplingofopticalemissiontosurfaceplasmons;wewillseekdemonstrationof the Purcell effect, i.e. a shortening of the radiative decay time of oligomers placed in nanometricproximitytometalssupportingsurfaceplasmonmodes.

Advancedorganic-inorganichybridmaterialssuchashighlyporousmetal-organicframeworks(MOFs) will also be designed and photophysically investigated by means of transientphotoluminescenceandexcited-stateabsorptionspectroscopywiththeaimtodevelopnewmaterialsfor chemical sensing. Luminescent organic linkers such as anilato derivatives and/or NIR emittinglanthanideionssuchasEr(III)andYb(III)willbeusedtoprobetheadsorptionofsmallmoleculessuchas common air pollutants at the MOFs nanopores by optical sensing schemes.



1.ResearchtitleNovelfluorescentnanoarchitecturesforphotonicapplications2.PrincipalinvestigatorsCarloMariaCarbonaro,RiccardoCorpino,D.Chiriu3.Reasearchteam

Assistantprofessors Carlo Maria Carbonaro, RiccardoCorpino,DanieleChiriu


PE4_1 PE4_3 PE5_6

5.KeywordsNanomaterials Photonics OpticalSpectroscopy

6.NationalandinternationalcollaborationsM.F.Casula,C.Cannas,A.Salis,Dept.ofChemicalandGeologicalSciences,UniversityofCagliari;A.Corrias,G. Mountjoy, School of Physical Sciences, University of Kent; D. Carta, Fac. of Physical Sciences andEngineering, University of Southampton; A. Falqui, A. Casu, King Abdullah University of Science andTechnology, M. Cannas, S. Agnello, Dept. of Physics, University of Palermo; S.Gerard, Y. Ouerdane,Laboratoire Hubert Curien, Univ. de Saint-Etienne; L. Malfatti, Faculty of Architecture, University ofSassari;A.Paleari,DeptofMaterialsSciences,UniveristyofMilano-Bicocca.7.AbstractThe research project aims to investigate novel fluorescent nanoarchitectures to engineer organic-inorganichybridsforapplicationsinphotonics(whiteLEDandnanolasers).TheselectedfluorescentcompoundsareCarbon-dots(CDs)whoseemissionpropertiescanbetunedbyquantumconfinementand surface functionalization. To achieve photonic applications the fluorescent compounds will beembeddedinsuitablematrices,suchorderedmesoporoussilica.8.state-of-the-artCarbondots(CDs)areanovelfamilyofC-nanoparticlesattractingacademyinterestbecauseoftheircapabilityofyieldingbrightandtunablefluorescence.Inaddition,thesecompoundspossesswatersolubility,lowtoxicity,photo-stability,andaversatilephotochemistry,envisagingapplicationsinbio-imagingoptoelectronics,photocatalysisandsolarenergyharvesting.

ChemicalandphysicalprocedurestoproduceCDsareingeneralfacile,green,andlow-cost,theC-sourcerangingfromcharcoaltocandlesoot,orangejuice,orpotatoes.However,thestructure,compositionandthereforeopticalpropertiesofCDsarerathersynthesis-dependent.Inaddition,besidecarbon,CDsusuallycontainlargeamountsofoxygen(20-40%),especiallyatthesurface,andnitrogenisoftenintroducedasdopantuptoratherlargeconcentrationstoincreaseemissionperformances.Uptonow,moststudiesonCDshaveaddressedtheirpropertiesinliquidphase,in



particularwater.Onlyinrecenttimes,anincreasingeffortisbeingdevotedtodevelopCD-basedsolidmaterials,inviewofthepotentialsolid-stateapplicationsoftheirlightemission.

9.Researchdescription,milestones,andgoalsTheprojectaimstostudyC-dots-basednanocompositesforsolid-statelightingandlasingapplications.Following the lead of green chemistry and the priorities of H2020, the use of C-dots would allowreducingtheuseofpoisoningheavymetals,(Cd,Sb,Pb,etc.)orrareearthselements(La,Er,Ga,etc.),largely applied for photonics solutions. Nowadays the fluorescent quantum yields of C-dots in theblue/greenrange isalmostcompetitive to thoseofCdSe/ZnS,however, theemissionefficiencyofC-dotsinthered/near-IRrangeshouldbeimproved.Thefirsttargetoftheprojectisthereforetoexceedthisdeficit and thedesignof aC-dots-loadedmatrix showinganefficient emissionofwhite light.C-dotswillbedesignedusingbothchemicalandphysicalprocessing,andtheemissionwillbetunedtoachieveavarietyofcoloursandcomposethewhitelight.Theemissionwillbealsomaximizedthroughsurface functionalization or by means of coupling with plasmonic metal nanoparticles. One-potsynthesis,post-functionalizationofaporousmatrixandship-in-a-bottleapproaches,throughinsituC-dots synthesis, will be used to prepare highly-loaded matrix made of hybrid organic-inorganic orpolymeric materials. The overall properties of the materials, in terms of colour rendering andtemperature,thermalandchemicalstabilitywillbetunedusingthewideflexibilityofferedbythesol-gelapproach.Thechosenhostmatrix isorderedmesoporoussilicabecause itshugespecificsurfaceareaallowshostinglargeconcentrationsoffluorescentCDs.TheanalysisoftheinteractionofCDswiththematrix,intermsofphysicalandchemicalconfinementofemittingcompounds,isastrategicissuetofillthecurrentknowledgegapaboutCDsinembeddedsystems.Theresearchactivityisplannedforaperiodofthreeyearsandisdividedinthreework-packages(WPs).WP1:synthesis,functionalizationand characterization of silica based ordered mesoporous materials (OMM) with ordered andcontrolledporosity.WP2:synthesisandcharacterizationofCDswithdifferentchemicalandphysicalprocedures and starting from different C-sources. WP3: embedding of CDs in silica matrix andcharacterizationoftheirspectroscopicfeatures.Theproposedresearchismultidisciplinaryandwillbecarried out in close collaboration with the Department of Chemistry and Geology and the otheracademic collaborations of the research team. The project is under evaluation within the call forresearch base project of MIUR (year 2015).



1.Researchtitle Magneticpropertiesofnanomagnets2.Principalinvestigator GiorgioConcas3.Researchteam

Fullprofessors Associatedprofessors GiorgioConcasAssistantprofessors Postdocs Ph.D.students

4.ERC(EuropeanReserachCouncil)researchclassificationschemePE3_1 PE3_8 PE3_10

5.KeywordsMagnetism Nanomaterials MolecularMaterials

6.Nationalandinternationalcollaborationsonthistopic ISM-CNR,UnityofMontelibretti(RM) DipartimentodiScienzeChimicheeGeologiche,UniversitàdiCagliari7.Abstract Theobjectiveofthisprojectproposalistheinvestigationofthemagneticpropertiesoflowdimensionalsystems,suchasmagneticnanomaterialsandmultifunctionalmolecularmaterials.8.Frameworkandstate-of-the-art Thedeterminationofthedependenceofthemagneticpropertiesonthesizeandshapeofthenanoparticlesandonthestructureofthemoleculesistheobjectiveofthisproject.Relevantmagneticnanoparticlesareformedbyanoxideortheyarenanocompositesoftwodifferentoxides.Multifunctionalmolecularnanomaterialsareconstitutedbyananioniccomplexoftransitionmetals(magneticcomponent)andfromanorganicmolecule(componentelectricalconductor).



9.Researchdescription,milestones,andgoalsThemagneticpropertiesofnanomaterials andmolecularmaterialswill be studiedusing the

magnetic SQUID magnetometer (Quantum Design MPMS XL5, USA) of the research group. Themagnetometermeasuresthedc(directcurrent)magnetizationwithappliedmagneticfieldsupto5T,inatemperaturerangefrom400Kto1.9K,withasensitivitytothemagneticmomentof10-6erg/G.Thisallowsyoutodetermineifthematerialisinadisorderedstate(diamagneticorparamagnetic)orordered (antiferromagnetic or ferromagnetic). By measuring the magnetization as a function oftemperature, itmaydetermine themagnetic transition temperatures (Curie orNeel). Bymeasuringinstead themagnetization as a function of the field, you can determine the hysteresis loop and thecharacteristic parameters of a ferromagnet (coercive field, residual magnetization and saturation),fundamentalforthepurposesofpossibleapplications.TheFe-containingmaterialscanalsobestudiedbyMössbauerspetroscopyofFe-57.Thegroupworkswith threeMössbauerspectrometers for low-temperaturemeasurements from300K to4K (witha cryostat at liquidhelium)andhigh300K to1000K (withavacuumchamber).This spectroscopyshows thestateofmagneticorder; it alsoalsoallowsyoutomeasurethevolumefractionordered, ifotherthan100%;thisisnotpossiblewiththeSQUIDmagnetometer.Willbestudiedalsoparticularlyimportantaspectssuchas:-Thepossibilityofinterplaybetweentheconductionelectronsdelocalizedandthelocalizedmagneticmoments;-Theeffectofamagneticfieldonthetransportpropertiesofaferromagneticconductor;- The possible coexistence of ferromagnetism or antiferromagnetism and superconductivity inmolecularmaterials.



Preventivo2016-2018Congiu-GeddoLehmannInglese

1.ResearchtitleFerroicperovskites:structure-propertiesrelationshipsinbulk,thinfilmsandnanoparticles2.PrincipalinvestigatorsGeddoLehmannAlessandraandCongiuFrancesco,3.Reasearchteam

Fullprofessors Associateprofessors Assistantprofessors 2Post-docs PhDstudents


PE3_8 PE5-6 PE3-10

5.KeywordsPerovskites Ferroicity Phasetransitions

6.NationalandinternationalcollaborationsCNR-SPIN-NaplesDipartimentodiIngegneriaIndustriale,UniversitàdiSalernoCNR-Rome7.AbstractFerroicandmultiferroicperovskitespresentmanyinterestingproperties,suchas(anti)ferroelectricity,(anti)ferromagnetism,magnetoelectricity,superconductivity.Assuch,theyarewidelystudiedforapplicationsasfunctionalmaterials.Ourresearchteaminengagedinthestudyofsomeclassesoffunctionalperovskites,totheaimofclarifyingtherelationshipsbetweentheircrystalstructureandmicrostructureandferroicproperties.

8.State-of-the-artAlthoughperovskiteshavebeenknownandstudiedsince1839,yearoftheclassificationofCaTiO3asamineral, new properties are continuously discovered inmaterials belonging to this structural type.Recent examples are Mn oxides showing colossal magnetoresistance or mixed organic/inorganichalideswhichhavebeenprovedtohaveoutstandingphotovoltaicresponse.Thereforetheirstudystillremainsahighlycompetitiveresearchfieldincondensedmatterphysics.Hottopicsinperovskitesaremultiferroicity, search for green, lead-free piezoelectrics/ferroelectrics and relaxors, emergingphenomenaatinterfaces,eitheratheterointerfacesbetweendifferentcompoundsoratferroicdomain



boundaries, the role of spontaneous polarization and ferroelectric domainwalls in the photovoltaicresponseofbothoxidesandhalides.Ourresearchaimsatenlighteningseveralaspectsoftheprevioustopics,someofwhichhavebeentheobjectofintensiveresearchwithintheItalianprojectPRINOXIDEjustconcluded.9.Researchdescription,milestones,andgoals1)Propertiesofinterfacesinperovskites(2016).1a) We shall study the magnetic and charge transport properties of colossal magnetoresistivemanganitescontainingnaturalinterfacesintheformofferroelasticdomainwalls.Tothisaim,epitaxialfilmswithstripestructuraldomainswillbeanalyzed,thetwinstructureofwhichscaleswiththicknessfollowingtheKittel'slaw.WeshallconcludetheexperimentalworkalreadyperformedonLa-Sr-Mn-Ofilms, and shall discuss the correlation between themagnetic response and the ferroelastic domainstructure.1b) We shall conclude the study of the magnetic response of epitaxial films of Pr-Ca-Mn-O CMRmanganiteonNdGaO3 indifferentcrystallographicorientations,bycomparingSQUIDmagnetometryandMOKEresults.Theroleofproximityeffect inthemagneticanisotropyandexchangebiaswillbediscussed.2)PhasetransitionsinnanostructuredMnperovskites(2016-2017).2a) The study on the use of the magnetocaloric effect as a tool for studying of the magnetic andmagnetostructural/magnetoelastic transitions in CMR perovskites will be concluded. In particular,resultsobtainedonthesystemPr-Ca-Mn-Owillbepublished.2b)AcomparisonofthephasetransitionsbetweenbulkandnanoparticlesofthemultiferroicsystemHo-Ca-Mn-Owillbecarriedout.Inparticular,thechargeorderingdestabilizationinnanoparticleswillbediscussed.3)Ferroelectricperovskites forphotovoltaicsandphotocatalysis: synthesis, structuralanddielectriccharacterization(2016-2018).In the field of ferroic ferroelectrics, we plan to carry out the synthesis and the characterization ofperovskites with potential applications in solar energy conversion, and to study the role ofpolarizationand/orferroicdomains intheirphotoresponse.This isatopicknownsinceaboutthirtyyears,thathoweverarousedanewinterestafterthediscoveringofthehugephotovoltaicresponseofhybridorganic/inorganichalideswithincipientferroelectricity.Materialswillbechosenamongthreedimensional or layered perovskites on the base of the value of their absorption edge. For oxides,ceramics sampleswill be prepared by solid state reaction and successive sintering of highly densepellets. Structural characterization will be performed by powder X-ray diffraction. Dielectriccharacterizationwill be carriedoutbyaRadiantTester through the collectionofP(E) loopsandbymeasuringthedielectricconstantasafunctionof frequencyandtemperature. Selectedsampleswillbe thereafter tested for their photoresponse.



1.ResearchtitlePoroussiliconfortechnologicalapplications

2.PrincipalinvestigatorsGuidoMULA

3.Reasearchteam

Fullprofessors Associateprofessors Assistantprofessors GuidoMulaPost-docs PhDstudents MariavitaliaTiddia


PE5_6 PE5_8 PE4_1

5.KeywordsPoroussilicon Hybridsorganic-inorganic Rareearths

6.Nationalandinternationalcollaborations-A.Falqui,(BESE),KAUST,Jeddah,KingdomofSaudiArabia-A.Pezzella,Dip.diScienzeChimiche,Univ.FedericoIIdiNapoli,Napoli-M.Mascia,S.Palmas,A.Vacca,DIMCM,Univ.Cagliari-N.Gambacorti,T.Printemps,P.Bleuet,CEA,LETI,MINATECCampus,Grenoble,France-F.d’Acapito,CNR-IOM-OGGc/oLISA-ESRF,Grenoble,Francia7.Abstract

Inthe2016-2018yearswewillfocusouractivitiesontheorganic-inorganichybridsofpolymers(e.g.polyanilineandmelanins) and porous silicon. These structures will be mainly studied by optical, electrical, electrochemical andstructuralmeans.Lithographyonnitrobenzene-functionalizesporousSiwillalsobeapproached.Wewillalsocontinuethe study of the electrochemical doping of porous Si with rare earths and metals for the improvement of thephotoluminescenceefficiencyandstudyothermaterialcharacteristicsofthematerial,e.g.structuralproperties.

8.State-of-the-artPorousSi(PSi)isaveryversatilematerialusedinaverywiderangeofapplications.Recently,itsapplicationforhybridsdeviceshasbeendrawingincreasingattentionfromthescientificcommunity.GiventhepeculiarstructureoftheinnerPSiporesstructure,itisamajorscientificchallengetounderstandtheimpregnationmechanisms and the hybrid interface formation processes. The dendritic PSi structure implies a strong



dependence of the internal electric fields on the exact location within the structure and that it is thendifficulttoaccuratelycontroltheabilityoftheimpregnatingsolutionstofullypenetratethepores.The complex pores’ structure is also at the origin of the insufficient information to explain the lack ofefficient luminescence from Er-doped PSi. The improvement of the PSi:Er system requires a betterknowledge of the mechanisms underlying the Er-containing solution penetration within the porousstructureandcanonlybeachievedthroughimprovedup-to-datecharacterizationofthesamples.9.Researchdescription,milestones,andgoalsIn the2016-2018yearsweplan to studyhybridbulkheterojunctionsmadeby the insertionofpolymersintothePSimatrixandtoimprovethecharacterizationofPSi:Ersystems.Indetails:

1) Research on hybrid junctions. The junctions will be fabricated starting from pristine or lightlymodified PSi samples and polymers as melanins and polyaniline. The characterization of thesamples will be performed by several means: optical reflectivity, Scanning ElectronMicroscopy,Photoconductivity, I-V scans, electrochemical impedance spectroscopy. The research activitywillalsofocusontheeffectofchemicalandelectrochemicalmodificationoftheinnersurfaceofthePSipores to improve thestabilityof theorganic-inorganic interface. In fact, theshort lifetimeof thedevicesisincongruentwiththelifetimeofthejunctioncomponentsandisrelatedtotheinterfaceinstabilityduetochemicalandstructuralreasons.Themodificationoftheporessurfaceand/orthepolymers fabrication process and compositionwill bemadewith the goal of understanding andoptimizingboththeefficiencyandthestabilityofthehybrids.

2) Research on doped PSi. The fabrication process of PSi:Er for strong photoluminescence needs apreciseknowledgeoftheeffectofeachfabricationsteponthefinalresults.Theprincipalfocusofourresearchwillbeonthecharacterizationof thesamplesasa functionof thedifferentprocessparameters,forwhichweplantouse,inadditiontoothertechniques,3Delectrontomographytoachieve detailed structural information at the nanoscale. We also plan to obtain detailed PLmappingof thesamples (weplan to reacha spatial resolution in theorderofa fewhundredsofnm)bothonthetopsurfaceandonthecrosssectiontoidentifyaroutetowardstheoptimizationof the PSi:Er structure from the PL point of view. To reach this goal, we will modify theelectrochemical Er impregnation, the thermal treatment and other parameters in each of thedelicate steps of the fabrication procedure.



1.Researchtitle “OpticalandstructuralcharacterizationofCRMfreematerialsforoptoelectronicsapplications.”2.Principalinvestigator PierCarloRicci3.Researchteam --4.ERC(EuropeanReserachCouncil)researchclassificationscheme

PE3_12 PE3_1 PE4_1

5.KeywordsNanostructures OpticalProperties Semiconductors

6Nationalandinternationalcollaborationsonthistopic- A.Rizzi-PhysicsDepartmentGeorg-AugustUniversityofGöttingen- S.Cuesta-Lopez,AdvancedMaterials-UniversityofBurgos- J.A.DeToroSanchez–UCLM- F.Beolchini-UniversitàPolitecnicadelleMarche–UNIVPM- S.Fuendling,A.WaagTechnischeUniversitätBraunschweig;- MariaLuisaGrilli(ENEA).7.Abstract

TheResearchactivitywill be focalizedondevelopmentofCriticalRawMaterials (CRM) freedevicesforelectronicandoptoelectronicandrelatedtothetopicoftheEIPcommitmentRESET.Thethemeof therecyclewillbeanalyzedand inparticular, thepossibility toutilized theCRMwaste fornewdeviceswill be explored. The optical and structural propertieswill be characterizedmainly byRaman spectroscopy, Steady time and Time resolved luminescence in different temperatureconditions.8.Frameworkandstate-of-the-artRawmaterialsare fundamental inmost technologicalapplications,howeversomeof themarebeingrecentlydefinedbytheEUcommissionas“critical”duetothehighriskofsupplyshortageexpectedinthenext10yearsandfortheirimportanceintheEuropeanIndustry.Different devices utilize nowadays compounds with CRMs as key elements, from lighting devices,(LED, OLED, CFL: Rare earths, like Ce, Y, Eu and Tb, In as CRMs), to optoelectronics, such astransparentconductivelayers(InasCRM),permanentmagneticmaterials(inSmCo,NdFeB).Researchisneeded to improve the fundamentalunderstandingof thedevelopmentofnewmaterial solutionswith a reduced or completely eliminated critical content, while maintaining or enhancing theperformanceofthematerials,componentsandproducts.The design of the alternatives compounds, the control of growth process coupled with accuratecharacterizationaremandatoryforfurtherdevelopmentofnewCRMfreedevices.



9.Researchdescription,milestones,andgoals The framework of the proposed research activity iswithin the research interests of the EIPcommitmentRESET:RawElementsSubstitutioninElectronicandoptoelectronicTechnologies.Theresearchactivitiesisdividedonthreeprincipalfield,

- HybridOrganic/Metaloxidessystem- Nanocompositesformagnetically-inducedluminescence- Opticalandstructuralpropertiesoffieldeffectorganicbiosensor.- AlternativephosphorsforGaNbased3D-LEDs.Inthefirstproject,incollaborationwithUniversityofGhent,FBKTrentoandthedepartment

of Chemistry of the university of Cagliari, the structural and optical properties of different Metaloxides/organic hybrds systems will be explored. The realization of a hybrid system can providesignificantbenefits to theoptical responseofoxidematerial.Thenew featuresof thephosphorwasexplained by the presence of two effects, an efficient organic to lanthanide energy transfer and thedecreasing of quenching effect due to surface defects. In this context, it is important to realize thesynthesisprocess,occurredathightemperature,preventingthesaturationofdefectswithOHspecies.Therealizationofmultishellsystemwillbealsoexplored.

MagneticallyinducedLuminescence(MIL)isaforefrontresearchfieldthatrequiresthecrossknowledgeofdifferentspecific fieldsofMaterialsScience, frommagnetismtonanosizedeffect, fromstructural characterization to luminescence.Only fewmonths ago itwasproved in fewhigh ImpactFactorpublicationsthattheMILeffectcanberelativelyeasilyaccessiblebyusingmagneticmaterialsembeddedinflexiblelaminatestructurescoupledwithpiezophotonicmaterials.

The research in this topic is at the very beginning and new characterizations and, more ingeneral, deeper studies aremandatory. On these basis the prompt collaboration in an internationalnetwork can be strategic both from the base research point of view and for future innovativeapplications.ThistopicwillbefirstlydevelopedincollaborationwiththetheAppliedNanomagnetismGroupoftheUniversitaddeCastilla-LaMancha(Spain).

ThethemeofnewlightingsystemsandinparticularLEDtechnologywillbefundamentalinthenextyears.However,adrastic reductionofproduction cost andenergy consumption isneeded.Asaresult, the research in this field has large interest from a scientific point of view,with focus on thedevelopment of newhybrid organic/inorganic phosphor and cost efficient 3D-InGaN structures andfurther strategies especially for immediate applications in market products. In order to provide a“definedstandard”,conventionalbroadareaLEDchipsand3D-structuredLEDchipsofthesamekindwill be provided by TU Braunschweig (Germany). The LED chips will be coated with alternativephosphor materials, developed by University of Cagliari.



1. Research title Development of spectroscopic techniques for non-destructive investigations of archeological artifacts 2. Principal investigators Marcello Salis 3. Reasearch team

Assistant professors Daniele Chiriu

4. ERC (European Research Council) classification scheme

PE4-2

5. Keywords Optical spectroscopy Luminescence

6. National and international collaborations Nadali Davide (Università degli Studi di Roma “La Sapienza”); Polcaro Andrea (Università degli studi di Perugia) 7. Abstract The research project is devoted to the development of an handheld instrumentation based on the combination of micro-Raman spectroscopy, XRF and OSL for the investigation in situ of archeological artifacts that cannot be moved in a laboratory. The Raman and XRF techniques provide useful information for structural and compositional characterization of artifacts and hence for the identification of their geographical region of origin. The OSL technique allows for the luminescence dating of examined samples thus providing information about their historical period.

8. state-of-the-art Specific analysis of ancient artefacts by non-destructive and non-invasive means is a topical issue in the field of Cultural Heritage. In this connection, numerous papers could be cited for the use of Raman spectroscopy applied in Cultural Heritage. The role of Raman spectroscopy in the identification of pigments used in ancient painted walls and decorative potteries is already ascertained. In addition to Raman spectroscopy, XRF technique provides one of the simplest, non-destructive most accurate and most economic analytical methods for the determination of the chemical composition of many types of materials. The physical limit related to the investigation of low atomic number elements could be easily resolved by using the Raman technique, complementary to the XRF technology. Luminescent materials are suitable for retrospective dosimetry using no destructive Optically Stimulated Luminescence (OSL) analysis (such as clays, quartz, feldspar, aluminium oxide etc.).Luminescence dating is based on a combination of retrospective dosimetry and environmental dosimetry. 9. Research description. The research project will be dedicated to the realization of experimental setups for measurements on ancient artifacts indicated by the collaborators of Rome and Perugia.



1st year: The experimental setup will assembly a portable IR Raman spectrometer with a XRF spectrometer, in micro and macro configuration, with the possibility to generate compositional mapping of the analyzed samples. Collected data will be processed and a first interpretation of materials and conservation status will be shared with the collaborators of Rome and Perugia for an accurate archaeological analysis. 2nd year: An additional experimental setup for OSL analysis will be integrated in the above system with the purpose to date the studied samples. The results will be generated by a combination of collected OSL data, a model of trapping processes and kinetic recombination, and NORM (Naturally Occurred Radiative Materials) analysis of the geographical context related to the samples. 3rd year: The validation of the above techniques will be assured by the comparison of the experimental results and literature information about test samples. All the scientific investigation will be realized with the strict synergy among the involved collaborations.



RESEARCHPLANnelDomain"Condensedmatterphysics”

Sub-domain02B2"Theoreticalcondensedmatterphysics"



1.ResearchtitleInvestigationofhiddenparametersinunconventionalsuperconductors.2.PrincipalinvestigatorsFabioBernardini3.Reasearchteam

Fullprofessors Associateprofessors FabioBernardiniAssistantprofessors Post-docs PhDstudents


PE3_6 Macroscopic quantum phenomena: superconductivity, superfluidity, etc

PE3_4 Electronic properties of materials, surfaces, interfaces, nanostructures, etc.

PE5_2 Solid state materials

5.Keywords

UNCONVENTIONAL SUPERCONDUCTIVITY

IRON BASED SUPERCONDUCTORS INTERPLAY BETWEEN SUPERCONDUCTIVITY AND MAGNETISM

6.NationalandinternationalcollaborationsBrianM.Andersen,NielsBohrInstitute,UniversityofCopenhagen.A.Cano,InstitutdeChimiedelaMatièreCondenséedeBordeauxCNRS,FranciaProf.N.Saini,DipartimentodiFisica,UniversitàdiRoma“LaSapienza”Dr.S.Sanna,DipartimentodiFisica,UniversitàdiPavia.A.Martinelli,SPIN-CNR,Genova.7.AbstractIwillstudytheoriginofunconventionalsuperconductivityintheiron-basedsuperconductors.Specialattentionwillbedevotedtotheso-calledhiddenparametersdominatingthesuperconductingbehavior.Densityfunctionaltheory(DFT)calculationwillbeusedtocomputetheU(Coulombrepulsion)andt(hoppingintergral)parametersusedinthemodelingofthemagneticinteractions.

8.stateoftheartSuperconductivityintriguedscientistseversinceitsdiscoveryinmercuryin1911.During the past few decades several new classes of unconventional superconductors have beendiscovered,suchascuprates,Fe-pnictides/chalcogenidesaswellassomeheavyfermionandactinidematerials.



Nowaday, even after large research efforts, not all classes of superconducting materials are fullyunderstood.Therearenowaccumulatingevidencesthatcompetition/interplaybetweenspin,chargeandorbitalorderingisoftenatplayin unconventional superconductors suggesting that they share a common underlying physics.Fluctuations of a suppressed order are often invoked as pairing glue in the superconductingmechanism. A variation of this conceptual framework is to involve quantum fluctuations around aQuantumCriticalPointwheretwocompetingordersaresuppressedatzerotemperature.9.Researchdescription,milestones,andgoalsTheaimofmyactivityistounveiltheintimatephysicalparameters(hiddenparameters)thatgovernunconventional superconductivity in the iron-based superconductors (IBS). In particular the mainpurposeistounderstandandquantifywhichdegreeoffreedomamongspin,chargeorstructurearedeterminanttodestroy/inducethesuperconductivityinthesematerials.Thisfinalandambitiousaim,canbeapproachedbyachievingthefollowingintermediatetargets:1)Toidentifytheregionsofthephasediagramwheremagneticfluctuationsdominate.2)Tosearchforchargeorderingsignaturesandexploreitsdynamics.3)Toidentifytheroleoflocaldistortions(orbitalorlatticedriven)inthesuperconductingpairing.Thetrendsof thesethree ingredientsshallbeprobedacross thephasediagramofcarefullyselectedIBS materials. I will concentrate my attention on the 1111 family (e.g. LaFeAsO). In this materialsuperconductivityandmagnetismcanbetunedmythesubstitutionofFewithMnandLawitharare-earth.Thehiddenparametersthatgovernunconventionalsuperconductivitycanbeunveiledbyidentifyingthecoexistenceregionsof thedifferentorderedphasesandthebehaviourof theirorderparametersandtransitiontemperatures(Néeltemperatures,criticaltemperaturesTc,charge-orderingandlocalstructural transitions, etc). Particular attentionwill be devoted to the study of correlation betweenspinfluctuationsandTC.DFT calculations will provide the electronic band structure for the systems under investigationfollowing a well-established theoretical-experimental collaboration with the Dipartimento di Fisicadell’UniversitaofPaviaandthelaboratorySPIN-CNRofGenova.ParticularattentionwillbedevotedtotheeffectofchemicalpressureontheratioU/tbetweenCoulombrepulsionandhoppingintegral.Thiswillallowustounderstandifthesuppressionofmagneticorderisduetoareductionoftheelectroniccorrelation.TheUandtwillbeimportantinthereal-spacedescriptionofthemagneticinteractioninthepresenceofMnimpurityaccordingtotheRKKYmodel.



1.ResearchtitleElectronic and optical properties of materials (from organic and biological molecules to inorganiccrystals)2.PrincipalinvestigatorsProf.GiancarloCappellini3.Reasearchteam

Fullprofessors Associateprofessors GiancarloCappelliniAssistantprofessors AndreaBosinPost-docs ElenaMolteniPhDstudents RobertoCardia


PE3_5 PE3_7 PE2_8

5.KeywordsSolidStatePhysics TheoreticalSpectroscopy Organic and Biological

Molecules6.NationalandinternationalcollaborationsDr.ssaMauriziaPalummo,DipartimentodiFisica,IIUniversitàdiRoma''TorVergata''Prof.GiovanniOnida,DipartimentodiFisica,UniversitàdiMilanoDr.J.Furthmueller,IFTO-FSUJena,GermanyProf.Gian-MarcoRignanese,NAPS,UniversitéCatholiquedeLouvain,BelgiumDr.D.Chiriu,DipartimentodiFisica,UniCa7.AbstractTheproposedprojectwilldealwiththeelectronicandopticalpropertiesofthefollowingsystems:A)Largegapcrystals:thecaseofthefluoridesB)Organicandbiologicalmolecules.Theseissueswillbetreatedwithincomputationalsimulationtechniques.8.StateoftheartSpectroscopictechniquesplayafundamentalroleinthestudyoftheelectronicandopticalpropertiesofsolids,moleculesandatoms.Theintroductionofcomputationalcodes,namedab-initioones,forthecalculationof



theelectronicpropertiesoflocalizedandextendedsystemshaveimprovedthecapabilitytounderstandtheelectronicandopticalexperimentalspectraofdifferentsystems.Infactthoseparameter-freecodeshavepermittedtheaccuratecalculationofelectronictransitionsinsolidsandmoleculesofdifferentnatureandsymmetry.Theuseoftheabovetechniquesoftheoreticalspectroscopywillbethemaingoalofthepresentresearchplan.9.Researchdescription,milestones,andgoalsTheparamete-freecomputationalcodesdevotedtothecalculationofthespectroscopicpropertiesofmaterialscanbeofdifferentkind:DFT-LDAandDFT-GWschemesforthegroundandexcitedelectronicstates,TD-DFTorBSEonesfortheopticalspectra.Moreinfoabouttechniques,theirorigin,thecomparisonwithexperimentalresultscouldbefoundatthewebsiteofETSF(EuropeanTheoreticalSpectroscopyFacility)networkhttp://www.etsf.eu.TheresearchprogramweshalltacklewillbeperformedincollaborationwithETSFcolleaguesandconsistsofthefollowingparts:A)Electronicandopticalpropertiesoflargeband-gapsystems:thecaseoffluorides.Ioniccrystalswiththefluoritestructureshowlargeband-gapandhightransparencyinawide-frequencyrange.AfterwehavestudiedCdF2andBaF2weplantoextendourinteresttodifferentsystems(e.g.MgF2oreSrF2).Moreoverweplantomakecomparisonswithindifferentcomputationalschemesontheelectronicgroundandexcitedstates/opticalpropertiesofbulkfluoritesytemstotestwhichshowsthebestperformancesintermofsavingofcomputationalresources.Theseactionsaimtoseekanefficientmethodtotacklemorecomplicatedsystems(e.g.surfaces,bulk-defects,surface-defects,interfaces)whichplayanimportantroleinfluoridesbasedapplications/materials.B)ElectronicandopticalpropertiesoforganicandbiologicalmoleculesTheuseoftheabovementionedcomputationaltechniqueshadastrategicimportanceinthelastyearsforthecalculationoftheelectronicandopticalpropertiesofmoleculesofinterestindifferentfields:fromastrochemistryandastrobiologytomaterialsscienceandculturalheritage.Betweenthemolecularspeciesinterestingintheabovefieldsthemoleculesofcarbonaceousbasisareoffundamentalimportance;inparticularthepolycyclicaromatichydrocarbons(PAHs)andtheirderivatiesshouldbeoneofthemostabundantfamiliesinspace.Thesemoleculesareofimportancealsoforoptoelectronicapplicationswhenconsideredintheirsolidphase.Moreoverwewouldlikealsotoconsiderbiomoleculesasthenucleobases(e.g.thymine(DNA)anduracil(RNA))forastrochemistry/biologyinterestandpotentialmaterialsscienceapplications.Forculturalheritageresearcheswewouldlikealsotoconsiderwithindifferenttechniquesorganicsystemsascelluloseandthebenzoquinones.



1.ResearchtitleTheoryandsimulationsofnanomaterials2.PrincipalinvestigatorLucianoColombo3.Reasearchteam

Fullprofessors LucianoColomboAssociateprofessors Assistantprofessors ClaudioMelisPost-docs • 1-2 post-docs are expected to be

hiredinthis3-yearperiodPhDstudents • RiccardoDettori

• 1-2PhDsareexpectedtobehiredinthis3-yearperiod


PE3_3 PE3_7 PE5_10

5.KeywordsAtomisticsimulations Nanomaterials Thermaltransport

6.Nationalandinternationalcollaborations§ InstitutdeCiènciadeMaterialsdeBarcelona((ICMAB-CSIC),Spain§ UniversitadAutonomadeBarcelona,Spain§ CatalanInsituteforNanoscienceandNanotechnology(CIN2),Barcelona,Spain§ UniversityofCaliforiaatDavis(USA)§ InstituteforPolymerPhysics,MPI-Mainz,Germany§ ÈcolePolytechnique,Palaiseau,France§ Institutd’Electronique,deMicroélectroniqueetdeNanotechnologie(IEMN-CNRS),Lille,France§ NorwegianUniversityofScienceandTechnology,Trondheim,Norway§ ScuolaInternazionaleSuperiorediStudiAvanzati(SISSA),Trieste,Italy§ UniversitàdiMilano-Bicocca,Italy§ IstitutoOfficinadeiMateriali(CNR),Cagliari,Italy§ IstitutoNazionalediRicercaMetrologica(INRIM),Torino,Italy7.AbstractWewillfocusonthetheory&simulationofnovelnanomaterialsforadvancedapplications,including:energyharvesting&production(i.e.thermoelectricandphotovoltaicconversion),manipulationofthermaltransportinnanoelectronics,elasticityofnanocomposites,andsystemsformetrologicalresearch.

Wewillaswelldevelop,implement,andapplynewcomputationalmethodsforlarge-scaleatomisticsimulations.



8.State-of-the-artModernsimulationsenablethequantitativepredictionandrationalscreeningofmaterialsproperties,aswellasthedesignofnewdevicesbasedonthem.

Acombinationofelementshasdeteminedthissuccess:theoreticalresearchhastransformedabstractideasandequationsintoalgorithms;appliedresearchhasturnedthesealgorithmsintopowerfulandflexiblecodes;codesbenefitoftheeverincreasingcomputationalpower;theextensivecrossvalidationoftheresultingcomputationaltoolsagainstexperimentsprovidesustheconfidencenecessarytoundertakeapplicationsofeverincreasingcomplexity.

Thelevelofmaturityandflexibilityofmodernsimulationsmakesthemapplicabletoarangeofproblemsunthinkableupuntilrecently:frommaterials,tochemistry,engineering,andbiologytonameafew.

Bycomputerexperimentsperformedwithstate-of-the-artsimulationmethodologieswewilldevelopnewfundamentalknowledge-targetedtoadvancedapplications-onnanomaterials.

9.Researchdescription,milestones,andgoals• Heattransportinglassymaterials

Glassy materials (intermediate between liquid and solid) have paramount applications intechnology.Notwithstanding, thetemperaturedependenceof their thermalconductivityremainsunexplained,especiallyatlowtemperature.By nonequilibriummolecular dynamics (NEMD) simulations andmodified Boltzmann transportequationcalculationswewillinvestigatethermalconductioninrealisticglassmodelsoverthefulltemperaturerangeoffundamentalandpracticalinterest.

• InterfacethermaltransportThermal transport properties of interfaces, namely Kapiza resistance (KR) and thermalrectification(TR),betweenunlikematerialsarestillpoorlyunderstood.By NEMDwewill investigate KR and TR performances for a number of prototypical interfaces(occurring innanostructured semiconductor, aswell as inpolymer-semicondutor composites orpolymerbundles)usefulforthermoelectricconversion,heatevacuationorphononics.

• Thermaltransportpropertiesin2DmaterialsThe above concepts, theoreticalmethods, and simulation toolswill be applied to study thermaltransport in 2D atomic sheets like, e.g., graphene, boron-nitride, MoS2 in realistic structuralconditions (i.e. including defects, grain boundaries, and borders) of current interest innanotechnology.

• MultiscalemodelingofelasticpropertiesofSisurfacesBycombiningcontinuumelasticitywithMDsimulationsandabinitiototalenergycalculations,wewill investigate theelastic fieldsoccurringat/nearbynon-ideal (i.e.curved,defected,oxidizedorloaded)Sisurfacesrelevantinnanocompositetechnologyorinmetrologicalresearch.

• ThermaldissipationincomplexfluidsBy developing new NEMD simulation methodologies we will investigate the heat dissipationphenomena in complex H-bonded liquids. In particular, we will focus on the fundamental



understanding of “pup&probe” experiments aimed at characterizing the relaxation dynamics ofsingle laser-excited vibrational states.



1. ResearchtitleUnconventionalferroelectricandsemiconductingoxidesforelectronicapplications

2.PrincipalinvestigatorVincenzoFiorentini3.Researchteam

Fullprofessors Associateprofessors VincenzoFiorentiniAssistantprofessors Post-docs PhDstudents Laureastudents AndreaUrru


PE3_5Electronicstructure PE3_4Semiconductors PE5_8Newmaterials

5.KeywordsAbinitiotheory Ferroelectricity Wide-gapsemiconductors Alloys

6.Nationalandinternationalcollaborations-CNR-SPINGenova:oxideinterfaces-CNR-ISMRoma:oxidesforelectronics-UniParma:oxidesforelectronics-LuxembourginstituteofScienceandTechnology:ferroelectrics7.AbstractFortheforeseablefuture,wewillcontinuedevelopingandapplyingnewabinitiomethodstotwolargefamiliesofmaterials:a)systemswithmagnetic,dipolar,orbital,charge,etc.order;b)oxidewide-gapsemiconductors.Ourgoalapplicationsare,respectively,metallicferroelectricsandternary(Ga/Al/In)Oalloys,withcollaborations,includingexperimentsmbeingalreadyunderway.8.StateoftheartOuractivityisatthecrossroadsofadvancedabinitiotheoryandofapplicationsforfutureall-oxideelectronics.Weusebothconventional(LDA,GGA,GGA+U)andadvanced(hybrid,SIC,GW)methods,as



wellasfree-energymodelsandsemiclassicaltransport.Weworkongeometryandelectronicstructure,optics,magnetism,polarization,transport.Ourfirstmainactivityconcerns‘visionary’materialsconceptsofhugebasicinterest,whichmaywellopenunexpectedapplicationavenues,forexampletohigh-densitymultistatememories.Oursecondmainactivityisonlessadventurousmaterials,buthardlyeasiertodealwith,namelyoxidesolidsolutionswithgroupIIIcations,whicharecurrentlyveryrapidlyemerginginpowerelectronicsandUVopticsandsensing.9.Researchdescription,milestones,andgoalsMetallicferroelectricsFerroelectricsarecharacterizedbystructuralinstabilitieswhich,uponcondensing,producepermanentdipolemoments.Along-standingquestionwhichwearetacklingiswhethersuchinstabilitiessurviveinthepresenceoffreecarriers(upone.g.doping)asthematerialturnsintoadegeneratesemiconductororabad(oragood)metal.Wearealsoprogressingonarelatedbutdistinctquestion:isthereasingle-phasematerialwhichisnativelyferroelectricandnativelymetallic?Itisdifficulttoestimatethetimeframeofadvancesinthisarea,butsomepreliminaryresultssuggestreasonalechancestoobtainanexperimentally-verifiablepredictionintheshort-mediumterm,hencehopefullyanexperimentalverificationwithinthendofthe16-18triennium.PhasestabilityofoxidealloysforUVelectronicsThesemiconductingwide-gapoxidesGa2O3andIn2O3areincurrentfocusforUVelectronicandsensing,andconductivetransparency,respectively,withemergingapplicationstopowerelectronics.Thealloysofthesecompounds(alsoincludingathirdingredient,Al2O3)ofcourseallowcombiningtheirproperties,inprinciple,atwill.Theirmiscibilityatagenericconcentrationisratherpoorlyknown,sincethethreebinarycompoundsallhavedifferentstructures,andofcoursenothingisknownaboutthepreferredstructuresasfunctionofconcentration.OurobjectiveisexploringthephasediagramsoftheternaryGaInO(andlaterGaAlO)alloywithfree-energymodelswheretheinternalenergyisobtainedabinitio.Ofcoursethisisalong-termwork,consideringthatthereexisttwotothreecompetingstructuresjustforGa2O3,nottomentionthepradigmaticallypolitypicAl2O3.Inthe16-18trienniumweexpecttoobtainareasonablycomplete,semi-quantitativepictureofthephasediagramofthetwoternaryalloys.OpticalpropertiesandanisotropyinGa2O3and(GaInAl)2O3

Atypicalexampleofcompositionallyadjustablepropertiesofsemiconductoralloysareopticalabsorptionandemission.Aswithmiscibility,wefacetheproblemthatthedifferentcristallographicstructuresproducedifferentelectronicstructures,generallycomplexandnotwellunderstood.InGa2O3,forexample,itisknownthatopticalabsorptionisanisotropic,butthereasonisnotknown(weareworkingonthat):thesamephenomenonmayshowupasfunctionofconcentrationinternaryalloys,andverypossiblyinamuchmorecomplexform.Boththegeneralopticalpropertiesandthedetailedaspectssuchasanisotropy,forbiddentransitionsetc.areanimportantgoalfor2016-18.



1.ResearchtitleBiologicalandpharmacologicalproblemsapproachedbycomputationaltechniques 2.Principalinvestigators PaoloRuggerone 3.Reasearchteam

Fullprofessors Associateprofessors PaoloRuggerone Assistantprofessors AndreaBosin,GiulianoMalloci,AttilioV.

Vargiu Post-docs GiovanniSerra PhDstudents RamaswamyVenkataKrishnan


PE3_19 LS2_11 PE4_13

5.Keywords Bacterialresistance Proteins Simulations

6.Nationalandinternationalcollaborations DipartimentodiScienzedellaVitaedell’Ambiente,UniversityofCagliari JacobsUniversity,Brema(Germany) UniversityofBerkeley,Berkeley(USA) GoetheUniversität,FrancofortesulMeno(Germany) UniversityofBirmingham,Birmingham(UK) UtrechtUniversity,Utrecht(NL) WeizmannInstituteofScience,Rehovot(Israel) UniversitéPierreetMarieCurie-Sorbonne,Paris(F) BasileaPharamceuticaLtd.,Basilea(Switzerland) MicrobiotixInc.,Worcester(USA) AngeliniFarmaceutica,Pomezia(IT) 7.Abstract Inthenextyearswewillcontinuethestudyofbacterialeffluxsystems,i.e.,theproteinsinvolvedinthereductionofantimicrobialcompoundsinsidethebacteria,byusingamanifoldofcomputationaltechniquesappliedtodifferentfamilyofeffluxpumps.Additionally,wewillextendourdatabaseofphysic-chemicalanddynamicalpropertiesofantimicrobialcompounds.Anewresearchlinewilldealwithviralproteinsthatinhibittheactionoftheimmunesystem.Finally,wewillworkonacomputationalprotocolthatshouldimprovethepredictivepowerofmoleculardocking.



8.State-of-the-art The foreseen researches will be performed within the framework of national and internationalprojectsandwillbenefitfromastronginteractionwithexperimentalgroups:financialsupportwillbeprovidedbytwoEuropeanprojectsandbytheRegioneAutonomadellaSardegna. The continuous increase of bacterial resistance to antibiotics requires a thorough research of themechanismsdevelopedbythebacteria tosurvivethetherapy.Effluxpumpscontributerelevantly tothesurvivalstrategyofthebacteriaandunderstandingtheirfunctioningatmicroscopiclevelprovidesvaluable insights for an efficient design of compounds able to escape and/or to inhibit these effluxsystems. ThesecondresearchfocusesonproteinsthatarecrucialfortheextremelydangerousEbolavirus.Thegoal is to identify possible inhibitors of these proteins starting from the knowledge ofmicroscopicfeatures. Finally,wewillworkonthedevelopmentofamoreaccuratedockingprotocol,whichisnecessarytodealwiththeproblemshighlightedjustabove. 9.Researchdescription,milestones,andgoals In our research activitiesweuse several computational techniques ranging frommoleculardockingandmodelingtomoleculardynamicssimulationsandabinitiomethods.Moreover,becauseofthesizeand time scales of systems and processes of interest, we will adopt coarse-grained methods tosimulatelargersystemsforlongertimeskeepingtheaccuracyatagoodlevel.Inparticular, Bacterialresistance

Study of the capture, binding, extrusion of selected antimicrobial compounds by the effluxpumpsoftheRNDfamilyinE.coliandP.aeruginosa.Astronginteractionwithourindustrialpartnerswillofferastrongsupporttoourresearch(2016-2018). Simulationsof the assemblingprocessof the componentsof theRNDeffluxpumps inE. coli(2017-2018). StudyofthestructuralanddynamicalpropertiesoftheeffluxpumpsbelongingtotheMFSandSMEfamilies.Forsuchproteins,asynergywithactivityoftheRNDpumpshasbeensuggested(2017-2018). Setupof database of physic-chemical anddynamical properties of antimicrobial compounds.Thedatabasewillcontainalsothefilesnecessarytoperformmoleculardynamicssimulationsandtheaccesswillbefree(2016-2018).

Viralproteins Withextensivemoleculardynamicssimulationswewill identifytheresiduesrelevantfortheinteractionoftheproteinVP35withtheRNAoftheEbolavirus.This interactioniscrucialtoinhibittheresponseoftheimmunesystemtothevirus(2016-2018). MicroscopiccharacterizationoftheinteractionbetweentheresiduesidentifiedinthepreviouspointandmoleculesthatcaninhibittheformationoftheVP35-RNAcomplex(2017-2018).

Dockingprotocol Setupandtestofacomputational techniquetogenerateproteinstructuresimilartothose incomplexwithligandsstartingfromexperimentalapostructures.Additionally,wewilluseandtestsite-finderprogramsthatsearchforputativeaffinitysitesinaproteinifexperimentaldataarelacking(2016-2017). Setup of a relational database containing protein structures available to the scientificcommunitytoimprovetheefficiencyandthereliabilityofdockingprotocols(2017-2018).



RESEARCHPLANDomain“Condensedmatterphysics”Sub-domain02B3"Appliedphysics"



1.Researchtitle PHYSICSAPPLIEDTOMEDICINE,ARTANDENVIRONMENT2.Principalinvestigator PaoloRandaccio3.Researchteam

Associatedprofessors PaoloRandaccioAssistantprofessors VivianaFanti

4.ERC(EuropeanReserachCouncil)researchclassificationschemePE2_16 Metrology and measurement

LS7_8 Radiation therapy LS7_2 Diagnostic tools (e.g. genetic, imaging)

5.Keywords

Ionizingradiationdosimetry Archaeometry Synchrotronlight6.NationalandinternationalcollaborationsonthistopicINFNSYRMA_CTproject:INFNunitsofTS,PI,CA,NA,FE,BO,Elettra,AziendaOspedalieraUniversitariaOspedaliRiunitiTrieste,UniversitàdiSassari.INFNAXIOMAproject:INFNunitsofFE,LNL,LNS,NA.PD,PI.7.AbstractTheresearchisdividedintoseveralsub-projects:1.Developmentandapplicationofnewdosimetrictechniques2.Techniquesfordatingofarchaeologicalfinds3.Mammographictomographywithsyncrotronlight4.DevelopmentofspectroscopytechniquesoncoldsystemsforthedetectionofCosmologicalAxions8.Frameworkandstate-of-the-art1. Inmodernradiotherapythespatialdistributionsofdoseissocomplexthatitrequiresthe

developmentofversatilethree-dimensionaldosimeters,convenientforclinicaluseandwiththeaccuracyandresolutionnecessarytoenablecomprehensiveverificationofcomplexdosedistributions.

2. Theceramicscontaincrystalsofsilicaandfeldsparexhibitingthephenomenonofthermoluminescence.Theceramicfindsburiedforlongperiodsaresubjecttoradiationduetonaturalradioisotopespresentinthesoil,asaresultthecrystalsabsorbsuchadosethatcanbemeasuredusingthethermoluminescence.

3. Mammographywithsynchrotronradiationhastwomaingoals:• monochromaticradiationallowsasubstantialreductionofdoseasthelow-energypartofthe

spectrumusedinconventionalmammographyistotallyabsorbedbythetissueswithnocontributiontotheimageformation;

• thehighspatialcoherenceofthebeammakestheeffectsofphasecontrastvisibleifthereisanadequatedistancebetweenobjectanddetector.Theseeffectsincreasethevisibilityofsmalldetailsand/orlowcontrast.



4. Wewanttostudythefeasibilityofasystemforparticledetectionthatexploitsthelaser-driven,fluorescence-emittingtransitionsinrare-earth doped crystals(InfraRedQuantumCounter).

9.Researchdescription,milestones,andgoals1. Theactivityisfocusedonthereconstructionoftomographicsectionsfromlinearopticalscans.

Wewillconstructascanningsystemconsistingoftwodistinctapparatuses:thefirstfortherotationofthecylindricalphantomarounditsaxis,thesecondfortheilluminationofthephantomwithaparallelbeamobtainedwithaparabolicmirrorandfocusedonaCCDsensorwithasimilarmirror.Furthermore,weintendtocharacterizethedosimetersbasedonOSLDdetectors,usedinradiology,andalsoknownasphosphorplates.

2. OurgrouphasstartedanactivityinthefieldofArchaeometryincollaborationwiththeDepartmentofArchaeology,UniversityofCagliariusinginstrumentationandknowledgedevelopedinthefieldofenvironmentalradioactivityandradiationdosimetry.Theprojecthasresultedsofarinathesis,apostgraduateMaster'sthesisandpresentationsinlocalcongresses.

3. TheobjectiveofSYRMA-CTistomaintaintheItalianleadershipinthemammographyphasecontrast,extendingtheclinicalprogramoftheSYRMEPlinetothebreasttomography.TheX-rayroom,alreadydesignedtobecompatiblewithtomography,willbeadaptedtothenewmethod,aswellasthedosecontrolsystemandtheexecutioncontrol.Theprojectwillfocusonthedosimetricoptimizationwhichislinkedtothechoiceoftheenergy(intherange20-34keV),thespatialresolutionofthedetector(basespatialresolutionis65microns),thethicknessoftheslice(Max2mm),thenumberoftomographicprojections.Oneshouldbeabletousetheeffectsofphasecontrastinordertoincreasethevisibilityofsmalldetails(edgeenhancement)orlowcontraststructures(phaseretrievial).TheCagliarigroupdealswiththereconstructionoftomographicimagesandtheoptimizationofthequalityoftheimagefordifferentacquisitionparameters.

4. Weforeseetouselanthanide-dopedrodasa“coherent”scintillator,basedonamplificationbystimulatedemission,forrelativelyhighenergydeposits(forexampleX-raysorionizingparticles).Developmentofacoherentscintillatorwithenhancedtimeresolutionisalsousefulforapplicationsdifferentfromdarkmatterdetection,suchaspositronemissiontomography.



RESEARCHPLANDomain"Astronomy,astrophysics,andphysicsofearthandplanets"

Sub-domain02C1"Astronomy,astrophysics,andphysicsofearthandplanets"



1.ResearchtitleObservationalandTheoreticalStudyofX‐RayBinariesandNeutronStars2.PrincipalinvestigatorsLucianoBurderi3.Reasearchteam

Fullprofessors NicolòD'AmicoAssociateprofessors LucianoBurderiAssistantprofessors AlessandroRiggioPost-docs AndreaSannaPhDstudents FrancescaLoi

SaraLoruFabianaScarano


PE9_10 PE9_11 PE9_13

5.KeywordsHighEnergyAstrophysics Radioastronomy Pulsar

6.NationalandinternationalcollaborationsDipartimentodiFisica,UniversitàdiPalermoINAFOsservatorioAstronomicodiCagliariINAFOsservatorioAstronomicodiRomaUniversitätErlangen-Nürnberg,Sternwartstraße7,96049Bamberg,GermanyInstitutdeCie`nciesdel’Espai(IEEC-CSIC),Barcelona,Spain7.AbstractThemaintopicsofourresearchareHighEnergyAstrophysicsandRadioastronomy,inparticular,thestudyofbinarysystemscontainingacompactobject(veryweaklymagnetizedneutronstarorblackhole)andRadioPulsars.TheresearchconductedinthisfieldismainlybasedonobservationsobtainedwithinstrumentsplacedonboardsatellitesforX-rayandGamma-rayastronomyandobservationsintheRadiofromgroundbasedfacilities.

8.state‐of‐the‐artLow-MassX-rayBinaries(LMXBs)consistofaneutronstar(NS),withweakmagneticfield(<1010Gauss),accretingmatterfromalow-mass(<1Msun)companion.MostofthesesystemsareX-raytransientsusuallyfoundinaquiescentstate,withluminositiesintherange1031-1033ergs/s.Onoccasionstheyexhibitoutbursts,withpeakluminositiesbetween1036and1038ergs/s.Theinferred



variationsinthemassaccretionratearetypicallyafactorof105.LMXBsarerelatedtoMillisecondRadioPulsars(MSPs),aclassof294(todate)radiopulsarswithspinperiodshorterthan10milliseconds.ItisbelievedthatMSPsareoldNS,spun-uptomillisecondperiodsbyapreviousphaseofaccretionofmatter(andangularmomentum)inaLMXB.Thisistheso-calledRecyclingScenario.ThisscenariohasbeenveryrecentlyconfirmedbythediscoveryofthreetransitionalmillisecondpulsarswhichalternatesphasesofMSPtophasesofAccretingMillisecondPulsars(AMPs),thatiswhentheX-rayemissionduetomatteraccretionontotheNSiscoherentlymodulatedatitsspinfrequency.

9.Researchdescription,milestones,andgoalsOurUnitincludesresearcherswithgreatexperienceinobservationsinallthebandsofinterest(X-ray,radio,optical,andgamma),aswellasexpertsinbinaryevolution.Inparticularweplantoperform:TiminganalysisofallfutureX-rayoutburstofAMPstoconstraintheorbitalandspinparametersandtheirsecularevolution.

X-ray spectral analysis of AMPs in order to constrain the geometry and properties of the emittingregion.

Optical observations of AMPs in outburst and, evenmore intriguing, in quiescence,when accretionluminosity is over and the albeit elusive power emitted by the rotating magnetic dipole isreprocessedbythecompanion(actingasabolometer)intheopticalband.

Hardandsoftgamma-rayobservationsofAMPswhere,usingepochfoldingtechniquestogetherwiththeextremelyaccurateparametersderivedin1.couldleadtothefirstpulsationdetectionofAMPsinthegamma-rayband.

TheoreticalmodellingofLMXBs,AMPs,andMSPsevolution.Inthisfieldwewillexploretheroleoftheradiation pressure of the magneto-dipole emission and the spin-down torque associated with it,whichhasbeenneglectedinmostoftheevolutionaryscenariosproposeduptodate.

TiminganalysisofMSPs.Weplantocontinueonapplyingstate-of-art timingprocedures to thebestavailable pulsar for studies of gravity theories, namely the Double Pulsar. This will lead tounprecedented tests of general relativity and possibly constraining the equation of state for thenuclearmatter.

Detection of GravitationalWaves.Within the context of the European Pulsar Timing Array (EPTA)collaboration,wewill bedeeply involved inanunprecedentedexperiment, aiming to combine thecapabilities of the major european 100m class radio telescopes, including the Sardinia RadioTelescope.Thiswill allowus to achieve a veryhigh accuracy in thedeterminationof the timesofarrivaloftheradiopulsesfromthetargetedMSPs,thuspavingthewaytoadirectdetectionofthecosmologicalbackgroundofgravitationalwaves.

TheEPTAradiotelescopeswillalsobeusedforperformingmulti-wavelengthobservationsofalargesampleofeclipsingMSPs.TheyplayakeyroleintheinvestigationofthelaststagesoftheevolutionoftheMSPsandinparticularintheformationoftheisolatedMSPs.

WithinthecontextoftheHTRU(HighTimeResolutionUniverse)andSUPERB(SUrveyforPulsars&ExtragalacticRadioBursts)collaborations,wewillcarryonanultra-deepsearchattheParkesradiotelescope. for additional MSPs and for Fast Radio Bursts (FRBs). Some of the new MSPs will besuitable for a Pulsar Timing Array, or as laboratories of gravity theories, or for studies of theformationoftheisolatedMSPsor,moreingeneral, for investigatingtheevolutionarylinkbetweenAMPsandMSPs.



TheAgileandFermidatabaseswillbealsoexploitedto fullycharacterize thephenomenologyof theradio-loud gamma-ray pulsars, in order (i) to shed additional light on the still debatedelectrodynamicsof the rotationalpoweredneutronstars, and (ii) to identifypeculiarpulsarswithtransitionalphysicalpropertieswithrespecttootherclassesofneutronstars.

We will perform an observational program (from the radio to the gamma-ray band) to properlymeasure the spatially-resolved spectra of Supernova Remnants and Pulsar Wind Nebulae todiscriminatebetweenleptonicandhadronicmodelsforhighenergyemissionfromthesestructures.



RESEARCHPLANDomain"Analyticalandphysicalchemistry"

Sub-domain03B1"Principlesofchemistryandinorganicsystems"



1.ResearchtitleStructuralcharacterizationanddevelopmentofantimicrobialpeptidesandtheirsyntheticanalogues.2.PrincipalinvestigatorsProf.MarianoCasuandDott.MarianoAndreaScorciapino3.Reasearchteam

Fullprofessors Associateprofessors MarianoCasuAssistantprofessors Post-docs PhDstudents PiraAlessandroeSerraIlaria


PE4_13 PE4_1 PE4_3

5.Keywords

Peptidi Struttura Spettroscopia

6.NationalandinternationalcollaborationsProf. Paola Gameiro, Departamento de Química and Bioquímica from Faculdade de Ciências daUniversidadedoPorto.Theexperienceofthisresearchgroupwilldeepensomeaspectsrelatedtotheinvestigation of the action mechanism of the peptides, such as: study of the lateral mobility ofmembranelipidsduringtheinteractionwiththepeptide,determinationofthedegreeof insertionofthepeptidemembrane,quantitativedeterminationof theconstantbreakdownofwater-lipid-relatedpeptides.7.AbstractTheresearchincludesthestudyoftheprinciplesunderlyingtheinteractionofantimicrobialpeptides(AMPs)andcationicphospholipidcomponentofthecytoplasmicmembraneofbacteriaandfungi,themembranebeingaprimaryobjectiveofthemechanismofthemicrobicideAMPs.8.state-of-the-artNowadays, bacterial resistance to antibiotics is one of the most pressing public health problemsworldwide,and isassociatedwithmortalityandhighcosts. Inadditionto traditionalstrengths,nowacquiredby the vastmajority of pathogens, theproblem is aggravatedby the increase in infectionscaused by bacteria can form biofilms, following the colonization of surfaces physiological host, egsurgical toolsand implantableprostheses,whichconstituteup to60%ofhospital infectionsand forwhich the conventional antibacterial therapies are not effective. At the same time the antibioticresistancewasnotcompensatedbytheintroductionofnewmoleculesinthearsenaltherapeutic,and



itisthereforenecessarythatalternativestrategiesplacealongsidetraditionalonestofindnewdrugsantibacterial,urgentlyrequiredespeciallyfortheGram-negativepathogens.9.Researchdescription,milestones,andgoalsThestartingpointoftheprojectisthesystematicstudyofdifferentanaloguesofSB056,adendrimericpeptide, designed to assess the actual role of the various parameters that characterize the class ofthesepeptides, to reachadeeperunderstandingof theiractualmechanismofaction.Thestudywillfocus mainly on the determination of the mechanism of interaction peptide / membrane, but theresearchwillbededicatedtotheevaluationoftheantimicrobialpeptidesinvitrosynthesizedfromtheoriginal.Ofthesepeptideswillbecarriedoutin-depthresearchbycombiningexperimentaltechniquesandmodeling to better understand themechanism of action and function of the various functionalunits,thetailandthecombinedpeptide.Theoptimizationwillhaveasobjectives(i)thelength,(ii)andtheunsaturationsofthetail,(iii)theinterchangeofloadsLysineandArginineresidueswithinchains,(iv)themodulationofthenetchargeofthechains.In particular, fluorescence spectroscopy will be used to collect information concerning the peptide / membrane. The formation of pores, the fusogenic activity and sequestration of anionic lipids, will be designed to distinguish between the possible mechanisms proposed for the General AMP. A study combined NMR / MD will provide details at the atomic level as the structure of the peptide, aggregation, interactions peptide / lipids, the possible inclusion of the peptide in the membrane or any disruption of the membrane, allowing to highlight the mechanism of 'action of these particular molecules and function of the various functional units of the DP, the tail and the chains. From a scientific point of view, this project allows to highlight the potential applications ofdendrimeric peptideswith particular regard to their inherent scalability, studies on their structure,organizationandguidanceinareasofmembranemodelthatwillprovideessentialinformationonthemechanismsmicroscopic,therecognitionpeptide-peptidewithinthesameaspectsandfundamentaltotheunderstandingoftheirmechanismofaction.Thesestudieswillprovidetothescientificcommunitya better understanding of the structural and functional characteristicswhichdetermine the efficacyandselectivityofthesepeptidesantibacterial/antiviral.1.ResearchtitleControl of optical properties of functional materials based on d- and f-metal complexes2.PrincipalinvestigatorsPaolaDeplano3.Reasearchteam

Fullprofessors PaolaDeplanoAssociateprofessors M.F.CasulaAssistantprofessors AngelaSerpe,LucaPilia(ricA)Post-docs FlaviaArtizzu,DavideEspaPhDstudents SalahudinAttar


Pe5_9 PE2_9 PE5_65.Keywords



CoordinationChemistry Optics OrganizedMolecularmaterials

6.NationalandinternationalcollaborationsSeveral international collaborations (A.Cannizzo,Berna;A.Vleck,UniversityofLondonQueen-MaryCollege; B. Dietzek, Friedrich Schiller University, Jena, Germany, …) mainly inside COST ActionCM1202“Supramolecularphotocatalyticwatersplitting”Severalnational(NLOproperties:D.Roberto,M.Pizzotti,UNIMI; (IstitutoSuperioredelleComunicazioniedelleTecnologiedell’Informazione); (L.MarchiòUNIPR).AdditionalcooperationsinsidetheDepartment.7.AbstractThe Project isaimedtodesign&synthesize&processphotoactivemoleculesbasedond-andf-metalcomplexesandtounderstandhowthemolecularenvironmentofaphotoactivesitecanbemodifiedinordertotuneandcontrolselectedlight-inducedfunctionssuchassecond order nonlinear optics (NLO), luminescence and photocatalytic activity for hydrogen production from aqueous solvents.

8.state-of-the-artCurrentlylight-responsivemolecularandsupra-molecularmaterialsareobjectofgreatinteresttotrytounderstandthephotophysicsandphotochemistryofcomplexmolecularsystems,responsibleforenergytransfer,chargeseparation,electrontransfer,andisomerizationinchromophoresinteractingwithamolecularenvironmentwhicharecapableofreplicatingnaturallyoccurringsystemsinbothenergystorageandsignalling.Thesesystemsarecomposedofachromophoreembeddedinanon-continuousmolecularandcomplexenvironment.Theenvironmenttunesorchangestheresponseofthechromophoretolightabsorptioninaspecificway.Inthiscontest,metal-complexesthatmayworkasswitchablesecond-orderNLO-phores,photocatalystforhydrogenproductionsfromaqueoussolventsandluminescent(includingNIR-emitting)areparticularlyappealingduetotheavailabilityofversatile,sustainable,andcost-effectiveroutesfortheengineeringoftheirchemicalandphysicalproperties.

9.Researchdescription,milestones,andgoalsThe research will be performed in two phases. Phase 1): Preparation and characterization of: a)second order non linear chromophores based on heterolepticmetal d8-dithiolenes redox or protonNLO-switchable; multinuclear f and d/f metals complexes. Preparation and characterization ofluminescentcomplexesbasedonmetald8-homolepticdithiolenestobeinvestigatedasphotocatalystsfor hydrogen production from aqueous solutions. Preparation and investigation of luminescentproperties of multinuclear lanthanide complexes. Phase 2) The activity will involve the molecular engineering into organized structures of the new molecular species. The NLO-phores will be incorporated and poled, e.g. in the presence of an electric poling and an appropriate thermal treatment, or by self-assembling, in organic or inorganic matrices, or on optical transparent supports. The effect of



chiral substituents on the nano- and crystalline molecular organization and, hence, on the NLO response, will be studied by the Kurtz-Perry technique. NLO measurements are performed at Università di Milano.Propertiesof luminescentcomplexeswillbe investigated inmatricesobtainedbysol-gelroutes.Theabilityofthistechniquetoobtainopticallyclearfilmsandcoatingswithtunablefeatureswillbetested.All-inorganicandorganic-inorganicporousmatriceswillbeused.PhotocatalyticpropertiesforhydrogenproductionareinvestigatedatInstituteofPhysicalChemistry,FriedrichSchillerUniversity,Jena,Germany,incooperationwithProf.BenjaminDietzek.Expectedgoals,1)obtaining:a)complexeswithhighand/orswitchableNLOresponse;b)complexeswith multifunctional properties (e.g. NLO and luminescence); c) complexes as photocatalyst for H2production;2)processing themostpromisingcomplexesas thin filmsandunderstandingmolecularandcooperativeaspectsabletotransformcollectivemoleculesinaopticallyactivedevice.

university of cagliari department of physics · dipartimento di fisica - cittadella universitaria,...

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