charge density wave and superconductivity in transition metal dichalcogenides donglai feng dept. of...
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![Page 1: Charge density wave and superconductivity in transition metal dichalcogenides Donglai Feng Dept. of Physics and Advanced Materials Laboratory, Fudan University](https://reader031.vdocuments.us/reader031/viewer/2022012308/56649e8e5503460f94b91028/html5/thumbnails/1.jpg)
CCharge density waveharge density wave and superconductivity and superconductivity in in transition metal dichalcogenidestransition metal dichalcogenides
Donglai FengDept. of Physics and Advanced Materials
Laboratory, Fudan University
KITPC, 2007
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Outline
• Introduction– Rich physics in transition metal
dichalcogenides– Angle resolved photoemission
spectroscopy (ARPES)
•2H-NaxTaS2
•2H-NbSe2 •1T-CuxTiSe2
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Transition metal Dichalcogenides (TMD)
From Hai-Hu Wen The first and still mysterious 2D CDW material discovered in `74
a=3.314 A, c=12.090 ASpace group P6/mmc
a=3.364 A c=5.897 ASpace group: P3m1
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Charge Density Wave in TMD
1T-TaS2, 1T-TaSe2, 2H-TaS2, 2H-TaSe2 in-plane resistivity
Advance in Physics, 50, 1171(2001).
Structure transition of in 2H TMD
From Hai-Hu Wen
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The Zoo of CDW
3*3 (2H family))1(1313 2TaSeT
2H family 3*31T-TaSe2 Sqrt(13)*Sqrt(13)1T-VSe2 2*21T-TiSe2 2*2*21T-TiTe2 no cdw……
Saddle band points scattering Fermi Surface nesting
Q0All conventional CDW mechanism failed to work ?!
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D. Jerome, C. Berthier, P. MoliniZe, J. Rouxel, J. Phys. (Paris) Colloq. 4 (37) (1976) C125.
A. H. Castro Neto, Phys. Rev. Lett.86, 4382(2001).
TaSe2 TaS2NbSe2
NbS2
Superconductivity and its Competition with CDW
From Hai-Hu Wen How CDW and SC compete ?
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E. Morosan et al., Nature Physics 2, 544 (2006)
First 1T-TMD superconductor: CuxTiSe2
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Mott-insulator transitions in other TMD’s
control U/t by pressure in NiS2 , and by Se substitution in Ni(S1-xSex)2
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Photoemission intensity: I(k,)=I0 |M(k,)|2f() A(k,
Single-particle spectral function
Angle-Resolved Photoemission Spectroscopy
Energy ConservationEB= hEkin
Momentum Conservation
K|| = k||+ G||
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Angle-Resolved Photoemission Spectroscopy
0.1°2-10now
2°20-40past
E (meV)
Improved energy resolution Improved momentum resolution Improved data-acquisition efficiency
Parallel multi-angle recordingM
omen
tum
Energy
A. Damascelli et al., PRL 85, 5194 (2000)
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Energy (eV)Energy (eV)
Mom
en
tum
(A
Mom
en
tum
(A
-1-1))
Energy distribution curves (EDC)
mom
entu
m
Complex lineshapes and background
Fermi function cut-off
PEAK POSITIONDispersion
PEAK WIDTH1/ scattering rate
Energ
yEnerg
y
MomentuMomentumm
Momentum distribution curves (MDC)
Good fit with Lorentzian shape No Fermi function
complications
EDC and MDC
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ARPES in FudanARPES in Fudan
• High flux Helium lamp
• High angular resolution analyzer: R4000
• Low temperature (10K)
•5meV total resolution
ARPES system at Fudan
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The electronic origin of CDW in2H-Structured TMD’s
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Saddle band points scattering Fermi Surface nesting
Q0
Scattering between several saddle band points, where a singularity in density of state to causes an anomalyin response function.
Particular topology of FS leads to a divergent response to an external perturbation, and then induces the divergence in response function.
Both nesting of Fermi surface or saddle points have caveats. mismatch of nesting and CDW wavevectorsNesting of FS: no gaps open near FS. (T. Valla et al),
FS varies in different systems
Saddle points: energy too far from EF, tiny effect; no gaps open near saddle points, etc. (Th.Straub et al)
Two existing mechanisms of CDW proposed for 2H compounds
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Open issues in 2H-TMD systems
CDW Non-observation of the CDW gap
Nesting Fermi surface vector does not match the CDW ordering vector.
The resistivity drop in 2H-TMD upon forming CDW
How CDW and Superconductivity competes?
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• 2H-TaS2: CDW transition@70K
SC [email protected] ;
• Na0.33TaS2’s Tcsc is 4.7K
• Na0.33TaS2•1.3H2O ‘s Tcsc is as large as 5.5K, which is reminiscent of NaxCoO2•yH2O
Lerf et al, Mat. Res. Bull. 9, 1597 (1974); 14, 797 (1979); Johnston , ibid. 17, 13 (1982)
Na doing – NaxTaS2
1 2 3 4 5 6 7 8-1.4
-1.2
-1.0
-0.8
-0.6
-0.4
-0.2
0.0
0.2
0.4
Na0.1
TaS2
Na0.05
TaS2
NaxTaS
2 (x<0.05)
NaxTaS
2 (x<0.05)
AC
res
po
nse
(10
- 4 A
m2 /g
)
T (K)
0 20 40 60 80 100
0.0
0.2
0.4
0.6
0.8
1.0
Tc= 4.4 K
2H-TaS2
Na0.1
TaS2
(N
orm
aliz
ed t
o 9
0 K
)
T (K)
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Fermi surface and spectra
Extended flat band region around M in this system
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Luttinger theorem and Fermi patch
This is opposite to the rigid band picture
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Comparison of CDW0K and CDW65K
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Strong coupling regime
Anomalous electronic properties Incoherent spectrum Broad linewidth ~
dispersion Finite weight at EF even
the centroid is far away
Clear dispersion Well defined Fermi
surface
All signs point to that the system is in strong coupling regime.here between electron and lattice (i.e. polaronic system)
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Examples of strongly interacting system
Blue bronze KMO Bi2201
B. P. Xie et al. PRL 07
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Single-particle spectral function
Eschrig, Norman, PRB 67, 144503 (2003) Hengsberger et al., PRL 83, 592 (1999) Valla et al., PRL 83, 2085 (1999)
Be(0001) Mo(110)
Collectivemode
Electronic band
Study many body effects with ARPES: e--phonon Coupling
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Strong and anisotropic ‘Kinks’ in NbSe2
A sign of strong electron -phonon interaction.
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NaxTaS2, x=0.1, Tc=3.8K, TCDW=0, very weak
NaxTaS2, x<0.05, Tc<1K, TCDW=70K, show up
Doping dependence of “kink” in NaxTaS2
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Gap analysis at M: doping and T-dependence
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A new theoretical approach resolving the gap issue
Demler et al PRL 2006
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Gap analysis
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Gap analysis: doping and T-dependence
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Momentum dependence
a
bc d
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Why 3×3 ?
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Auto correlation analysis
Chatterjee et al, PRL 06.
Hoffman et al. Science 02
Vershinin et al Science 05
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Autocorrelation map of NaxTaS2
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How about NbSe2 ?
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Spectral weight distribution and suppression in NbSe2
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Spectral weight suppression in the CDW state of NbSe2
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2H-NbSe2 n(k)’s vs. EB, and autocorrelation
the CDW wave vector is 1/3 a* regardless of doping, or element (S, Se, Ti, Ta, or Nb)
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T-dependence of auto-correlation
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•Similarity to the saddle point scenario•Gapped region does Not exactly match Qcdw ?•While the autocorrelation peaks at Qcdw ?!
Scattering between asymmetrically gapped regions
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CDW gap vs. total density of states
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New mechanism
1. Do not involve FS2. Not just involve single saddle point3. but involve the entire Brillouin zone,
where there is a large fraction of spectral weight at EF due to strong coupling/polaronic effects
• Q fulfills the CDW condition• Gap identified• Phase space is consistent with CDW
strength
May well applies to CDW instabilities in many other strong-coupling systems.
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CDW/Superconductivity competition
Yokoya et al. Science,294, 2518(2001)
K pocket is CDW- gapped, therefore less spectral weight available for SC.
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Summary for the CDW in 2H compounds
Polaronic electronic structure, providing the playground of the unconventional CDW and SC.
Identification of the CDW gap over extended regions in the Brillouin zone, resolving all the issues of CDW condition Gap size CDW wave-vector matching Different system may vary in details even though the CDW
is always 3*3 for the 2H compounds. The new mechanism is possibly a general CDW mechani
sm for strong-coupling systems, and may well be applied to CDW (instabilities) in many strongly correlated systems, such as the high Tc superconductors.
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Understanding the phase diagram of 1T - CuxTiSe2
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CuxTiSe2:SC and CDW competition in 1T-TMD’s
Ubiquitous phase diagram of superconductors
E. Morosan et al., Nature Physics 2, 544 (2006)
High temperature superconductor
Heavy Fermion superconductor
E. Dagotto, Science 309 (2005)257.
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1T CuxTiSe2
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For 21.2eV photon energy, electrons with kz ranges from 3/2c to 5/2c.
J. of Electron Spectro. Related Phenom. 117–118 (2001) 433
Brillouin zone and nature of the states
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From N. L. Wang
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Open questions in the phase-diagram
1. Semimetal or Semiconductor?
2. What is the mechanism of (2x2x2) CDW?
3. Why Copper doping would weaken the CDW?
4. Why superconductivity emerges?
5. What is the reason for the suppression of superconductivity at high doping range?
6. Do CDW and SC really compete?
7. Why SC only discovered in this single 1T compound so far?
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-1. 2 -0. 8 -0. 4 0. 0E-EF (eV)
20K
-1. 2 -0. 8 -0. 4 0. 0E-EF (eV)
60K
-1. 2 -0. 8 -0. 4 0. 0E-EF (eV)
100K
-1. 2 -0. 8 -0. 4 0. 0E-EF (eV)
140K
-1. 2 -0. 8 -0. 4 0. 0E-EF (eV)
200K
-1. 2 -0. 8 -0. 4 0. 0E-EF (eV)
230K
Inte
nsi
ty (
arb
. u
nit
s)
A
L
Temperature dependence of the A-L cut of TiSe2
L
L’
A
20K 100K60K 200K140K 230K
CDW occurs at 220K
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CDW opens a gap of 66 meV near A at the valence band.
CDW folds features to L, and the EDC also suggests Ti 3d band is above Ef
Inte
nsi
ty (
arb
. u
nit
s)
Inte
nsi
ty (
arb
. u
nit
s)
A closer look of A & L
band foldingEdge shift
TiSe2
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Fermi patch, and Fermi surface
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Doping dependence of EDC
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How superconductivity being suppressed?
Tc increases with doping, due to the spectral weight enhance at EF
Tc drop in the overdoping regime Large background at high doping (x~0.1
1) “Normal” R-T curve Inelastic scattering enhanced?
G.Wu, X.H.Chen et al.
-1.2 -0.8 -0.4 0.0
x=0.11
E-Ef
Inte
nsity
(arb
. uni
ts)
-1.2 -0.8 -0.4 0.0
x=0.065
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Fine structure of EDC’s
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Correlated metal + band-picture semiconductor
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Shift of Chemical potential
L
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Temperature dependence of EDC’s @ L’
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How CDW disappear
x=0 x=0.065
1. Charge neutrality is fulfilled2. Correlation plays an important role3. x=0.065 data make possible low temperature, and more precise picture4. 100 meV raise of chemical potential Se bands well below EF, while the excito
n binding energy is estimated before to be 17 meV
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Conclusion 1T-TiSe2
Excitonic CDW
Cu doping increases.
Chemical Potential shift
Exciton formation costly
CDW opens gap at valence band not Ef
Copper doping increase carrier densityAT high doping range,
Inelastic scattering enhanced
CDW suppressed
Superconductivity
rises
Superconductivity
suppressed
A ubiquitous and intriguing phase diagram by accident!
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Acknowledgement
• Fudan Group• Dawei Shen, Jiafeng Zhao, Binping Xie, Hongwei Ou, Jia
Wei, Lexian Yang, Jinkui Dong, Yan Zhang• Synchrotron work
• D. H. Lu, R. H. He (SSRL), S. Qiao, M. Arita (HiSOR)• Single Crystals
• Prof. Haihu Wen(IOP), • Prof. Xianhui Chen (USTC) • Prof. Jin Shi (U. of Wuhan)
• Discussions• Zhengyu Weng(Tsinghua), Dunghai Lee (UCB), Nanlin W
ang (IOP) and many others
• Funding Support
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Thank you !
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Excitonic scenario & the CDW transition
The new peak originates from the Se 4p band at point, it is folded to the L point when 2x2x2 CDW is happened. This is quite similar to what Kohn has proposed in 1967
Alex Zunger , A. J. Freeman , Phys. Rev. B (17) 1839