p. foury-leylekian 1 , ph. leininger 2 , v. ilakovac 3 y. joly 4 , j.-p. pouget 1
DESCRIPTION
GROUND STATE OF THE QUASI-1D CORRELATED ELECTRONIC SYSTEM BaVS 3. P. Foury-Leylekian 1 , Ph. Leininger 2 , V. Ilakovac 3 Y. Joly 4 , J.-P. Pouget 1. 1 Laboratoire de Physique des Solides, Univ. Paris 11, Orsay , France 2 Max-Planck-Institut Stuttgart, Germany - PowerPoint PPT PresentationTRANSCRIPT
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P. Foury-Leylekian1, Ph. Leininger2, V. Ilakovac3 Y. Joly4, J.-P. Pouget1
GROUND STATE OF THE QUASI-1D CORRELATED ELECTRONIC SYSTEM BaVS3
1 Laboratoire de Physique des Solides, Univ. Paris 11, Orsay , France2 Max-Planck-Institut Stuttgart, Germany
3 LCP-MR, Université Pierre et Marie Curie, Paris, France4 Institut Néel, CNRS-UJF, Grenoble, France
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INTRODUCTION
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LOW DIM. NON INTERACTING ELECTRON GAS + LATTICE COUPLING = 2kF CDW+ PEIERLS TRANSITION
PLD
(x)
CDW
(x) = - u(x)/x
uq
u(x)
2kF
gap 2(spin and charge sector) insulating ground state ECRYS 2011, Cargèse
Fermi surface nesting
(q)(q)
q=(2kF,…)
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INFLUENCE OF THE ELECTRONIC CORRELATION ON THE LOW DIMENSIONAL ELECTRON GAS
V
4KF
SDW
2KF(q)
CDWs
t
U>0ST (SS)
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g1 (= U+2V1cos)
superconductivityDW
(H. Schultz)
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STRONG CORRELATIONS + LATTICE COUPLING
S. Mazumdar et al 2000D. Poilblanc et al 2000
BOW
site CDW
δ-(EDT-TTF-CONMe2)2Br
2a*-c*
b*
qc
Blue bronzea*
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MULTIBAND EFFECTS … ORBITAL DEGREES OF FREEDOM ?
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P4W8O32 Blue bronze
E. Sandre, P. Foury et al PRL 01
BaVS3
F. Lechermann et al 2007J.P. Pouget et al 1983
Hidden nesting of 2 bands simultaneously
Interband nesting ? ?
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PURE BaVS3
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V
B
anisotropy structural 1D Å 6.75c VV
Å 2.8c // VV
S
STRUCTURE OF THE QUASI-1D CORRELATED ELECTRONIC SYSTEM BaVS3
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ELECTRONIC STRUCTURE
Spliting of the dz2 and et2g levels
LDA : 2 types of non degenerated bands
Ba2+ V4+ S2-3
V : 3d1
dz2 : quasi-1D wide band
(conduction) 94% filled
e(t2g) : 3D narrow band (magnetism)
2 V per unit cell n(dz2)+n(e(t2g))=2
F. Lechermann et al 2007
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Structural transition at Ts=240K
Hexagonal Orthorhombic (Cmc21)
S. Fagot et al SSS 05
c
T > TS T < TS
Cmc21
SUCCESSION OF PHASE TRANSITIONS
Metal-Isulator Transition(MIT) at TMI=70K
Unusual features
G. Mihaly et al, PRB 00
Mihaly et al, Phys. Rev. B 61, R7831 (2000)
Magnetic susceptibility
Resistivity
TMI
TMI
Transition at Tx=30K
Magnetic origin????
Tx
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MIT TRANSITION
PEIERLS-LIKE TRANSITION
T. Inami et al, PRB 02
PLD at q=(1,0,1/2)+2q
1D regim of fluctuations
20 40 60 80 100 120 140
130
135
140
145
150
155
160
165
170
(1 5 0)
inte
nsity
(arb
itrar
y uni
t)
T (K)
10 20 30 40 50 60 70 800123456789
(-1 4 -2.5)
inte
nsity
(arb
itrar
y un
it)
T (K)
S. Fagot et al, PRL 04
Peirls-like transition with a 2kF CDW of dZ2 e-
2kF=1/2c* (1/4 filling) for dZ2 band?
Powder structural refinement
S. Fagot et al, SSS 05
+ -0 0 + -0
S. Fagot et al PRB 06
Resonant X-ray scattering
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2kF(dz2)=1/2c* determined by X-ray :- Not agree with LDA calculation but with DMFT
- Agree with Magnetic susceptibility (Curie const. n(et2g)=2-n(dz2)=12kF(dz2)=1/2c*)
includes U = intrasite Coulomb repulsion J = Hund coupling
Lechermann et al, PRL 94, 166402 (2005)
dz2
e(t2g)
1/2
DMFT CALCULATIONS
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MIT TRANSITION
PEIERLS-LIKE TRANSITION
T. Inami et al, PRB 02
PLD at q=(1,0,1/2)+2q
1D regim of fluctuations
20 40 60 80 100 120 140
130
135
140
145
150
155
160
165
170
(1 5 0)
inte
nsity
(arb
itrar
y uni
t)
T (K)
10 20 30 40 50 60 70 800123456789
(-1 4 -2.5)
inte
nsity
(arb
itrar
y un
it)
T (K)
S. Fagot et al, PRL 04
Peirls-like transition with a 2kF CDW of dZ2 e-
2kF=1/2c* (1/4 filling) for dZ2 band?
Tetramerisation of the V4+ chain
Absence of CO of V4+
Powder structural refinement
S. Fagot et al, SSS 05
+ -0 0 + -0
S. Fagot et al PRB 06
Resonant X-ray scattering
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cdz²
e(t2g)
2kF CDW
dz²
4kF CDW
e(t2g)
V1
V2
V4
V3
V1
INTERPRETATION : ORBITAL ORDER
S1
S1
S2S2
S2S2
ΔV-SG
ΔV-S2
ΔV-S1
0.100.040.120.14
0.080.130.080.02
0.500.370.530.47
V4V2 V3V1
V-S distances
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INFLUENCE OF DOPING
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S DEFICIENT COMPOUNDS (5-10%)
A new instability at q’
- n(dz2)+n(e(t2g))>2 - HO transition shifted at low temperature
- Semiconducting behaviour
- SRO q’=(2/3,0,0.21±0.01) at Tc~140K
- 3D regim of fluctuations
CDW=2/34/3
0
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c*
• MIT persists : Tc=70K ~40K• Modulation q=(1,0,1/2±0.01) at TMI
• 1D fluctuation regime?
• Semiconducting state
• SRO q’=(2/3,0,.165±.01)
• Tc>200K • 3D fluctuation regime
c*
BaSr0.15VS3BaSr0.10VS3 S. (Bernu et al, EPL 2010)
Sr SUBSTITUTED COMPOUNDS
STRUCTURAL FEATURES
Sr>12% Sr>12% same q’ instability as in S deficient compounds
Strong sensibility of q(MIT) to any kind of perturbation
Sr<12%
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INFLUENCE OF DOPING : CONCLUDING REMARKS
• Commensurate PLD persits
• lock-in lattice effects ?
• 1/2 filling of dz2: not strickly ?
F. Lechermann et al, PRL 05
New q’ instability : CO of all e(t2g) e-
q’//c*(=0.165 or 0.83 for Sr15%) gives n(e(t2g)) : (n(e(t2g))=0.835 n(dz2)=1.165 : agrees with critical value)
3D regim of fluctuation (q’) because of 3D character of et2g orbitales
Strong doping
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Weak doping
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GROUND STATE
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W. Higemoto 02 H. Nakamura 00
GROUND STATE BELOW Tx ?
MuSR PND
- Magnetic origin
- qHex=(0.226, 0.226, 0) Validation on single crystal?
- Easy plane (a,b)
Mihaly 00
Susceptibility
Tx
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RESONANT MAGNETIC X-RAY SCATTERING RMXS OF BAVS3 AT THE V- L3 EDGE
Polarisation analysis and azymuthal angle dependence Orientation of Magnetic Moment
I~
Initial state
Final sate
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MAGNETIC REFLECTION DETECTED ON SINGLE CRYSTAL
- qHex magnetic reflex detected for the first time on single crystal
- qHex=(0.226, 0.226, ) with =0.033
Resonance of the reflection at qHex Magnetic character Presence of 2 reflections along
c*qHex is triply commensurate
2
~ l scan
~ h scan
0
P. Leininger et al, PRL 2011
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AZIMUT DEPENDENCE MOMENT ORIENTATION
- I/I max at =0 M is in the (a,b) plane
- Complexe magnetic structure requires modelization
I~
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MODELISATION USING FDMNES : DIFFICULTIES
6 twin domains due to HO transition
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8 V/unit cell - more in the magnetic cell
Only one reflection detected at this energy
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commensurate approx. qhex=(0.25 0.25 0)H
FDMNES MODELISATION : APPROXIMATIONS
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aM
bM
Model 1 :supercell (1x2x1)
qMon=(0 -1/2 0)M supercell (1x2x1)
Less reliable because AF along the long V-V distance
qMon=(1/4 1/4 0)M supercell (4x4x1)
Model 2 :supercell (4x4x1)
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RESULT OF THE FIT
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Good agreement fit/result I(E) and I() Model 1 is reliable
P. Leininger at al, PRL 11
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Origin of the c* component of qhex? Conical magnetic structure ?
Origin of the magnetic ground state? A 4kF CDW of et2g ?
GROUND STATE
bM
aM
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- L. Forro, N. Barisic, A. Akrap (EPFL, Suisse)
- H. Berger (ICM, Suisse), A. Gauzzi (IMPMC, Paris)
- M. Greenblatt, M. Lobanov, G. Popov (Rutgers, USA)
- A. Georges, S. Biermann, F. Lechermann (CPHT, X)
- M. Anne, E. Lorenzo, Y. Joly (Labo de cristallo, Grenoble)
- S. Ravy, P. Fertey (SOLEIL), V. Ilakovac (CCR, Paris)
- M.H. Lemée-Caillot (ILL, Grenoble)
- P. Cenzier, C. Pasquier (LPS, Orsay)
Theses :
-S. Fagot (05)
-S. Bernu
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Collaborations :
Ph. Leininger, V. Ilakovac Y. Joly, J.-P. Pouget
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DIFFUSION : A POWERFULL TOOL
BaVS3 S. Fagot, P. Foury et al PRL 03
ξ//-1
ξ//
(2kF)-1
1D
ξ//
(2kF)-1
ξ┴
(2kF)
3D
(I~2 )
Diffuse scattering
Reciprocal Direct
CO
Resonant diffraction
Initial state
Final sate
Eedge
f’
f’’
ISat
-
+
-
+
-
+
I
E(eV)
NaV2O5, S. Grenier et al PRB 02
Sensible to CO… Sensible to SR and LRO magnetism…
L-edgeK-edge
DyMn2O5, Ewing et al 08
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U<0: Luther Emery liquid
U>0: Luttinger liquid
2kF « site » CDW - no magnetism
AF
SP
2kF SDW
2kF « bond » CDW (BOW)
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GROUND STATES
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I) Introduction
II) Metal-Insulator transition of pure BaVS3
III) Influence of external fields : doping, pressure
IV) Magnetic ground state
V) Perspectives
OUTLOOK
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*4kF CDW could result from a RKKY indirect Coulomb coupling between the localized e(t2g) charges via the 2kF CDW fluctuations
(2kF)-1 =2c
If so: the 4kF CDW and 2kF CDW are out of phase
at TMI = 70 K: 2kF CDW in the dz² quasi-1D band
Gap opens in the charge and spin sectors
4kF CDW induced* within the quasi-degenerated e(t2g) electrons
Gap opens only in the charge sectore(t2g) spin degrees of freedom remain available for the 30K magnetic transition
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S DEFICIENT COMPOUNDS (5-10%)
A new instability at q’
- n(dz2)+n(e(t2g))>2 - HO transition shifted at low temperature
- Semiconducting behaviour
- SRO q’=(2/3,0,0.21±0.01) at Tc~140K
- 3D regim of fluctuations
CDW=2/34/3
0
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(A. Gauzi et al Eur. Lett. 06))
INFLUENCE OF DOPING : CONCLUDING REMARKS
• 1/2 filling of dz2: not strickly 2kF=1/2+q ?
• lock-in lattice effects q=(1,0,1/2) CDW
F. Lechermann et al, PRL 05
• q’ instability, a CO of all e(t2g) e- q’//c*(=0.165 or 0.835 for Sr15%) gives n(e(t2g))
n(e(t2g))=0.835 n(dz2)=1.165 :agrees with critical value
3D regim of fluctuation (q’) because of 3D character of et2g orbitales
• Commensurate q CDW of the dz2 e- distroyed :
if δqc*ξth(TMI)>1 δqc>0.07c* nc(dz2)=1+2qc=1.14
For Tc : Ln[Tc(x)/TMI] [δqcξth(TMI)]2 Tc~30K
(A. Gauzi et al Eur. Lett. 06))
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COMMENSURABILITY EFFECTS
Incomm.
2kF=1/2a*
Soliton lattice
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Sr SUBSTITUTED COMPOUNDS
•Tx persists
• Semiconducting state• FM behaviour
Sr<~12% Sr>~12%
(A. Gauzi et al Eur. Lett. 06))
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