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Extended Dynamical Mean Field. Metal-insulator transition. el-el correlations not important : band insulator: the lowest conduction band is full gap due to the periodic potential – few eV even number electrons metal Conduction band partially occupied. zt.
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Metal-insulator transition • el-el correlations not important: • band insulator: • the lowest conduction band is full • gap due to the periodic potential – few eV • even number electrons • metal • Conduction band partially occupied zt • el-el correlations important: • Mott insulator despite the odd number of electrons • Cannot be explained within a single-electron picture (many body effect) U eF* Zhang, Rozenberg and Kotliar 1992
Doping Mott insulator – DMFT perspective • Metallic system always Fermi liquid ImS(w)w2 • Fermi surface unchanged (volume and shape) • Narrow quasiparticle peak of width ZeFd at the Fermi level • Effective mass (m*/m1/Z) diverges at the transition • High-temperature (T>> ZeF) almost free spin LHB UHB quasip. peak d Georges, Kotliar, Krauth and Rozenberg 1996
mean-field description of the exchange term is exact within DMFT Nonlocal interaction in DMFT? • Local quantum fluctuations (between states ) completely taken into account within DMFT • Nonlocal quantum fluctuations (like RKKY) are mostly lost in DMFT (entropy of U= param. Mott insulator is ln2 and is T independent 2N deg. states) Why? Metzner Vollhardt 89 J disappears completely in the paramagnetic phase!
What is changed by including intersite exchange J? + intersite exchange Hubbard model For simplicity we will take infinite U limit and get t-J model:
mapping fermionic bath bosonic bath fluctuating magnetic field Extended DMFT J and t equally important: Q.Si & J.L.Smith 96, H.Kajuter & G.Kotliar 96
Still local theory Local quantities can be calculated from the corresponding impurity problem
Diagrammatic auxiliary particle impurity solver NCA impurity solver This bubble is zero in the paramagnetic state
A(k,) =0.02 A(k,0) A(k,) ky k kx
A(k,) =0.04 A(k,0) A(k,) ky k kx
A(k,) =0.06 A(k,0) A(k,) ky k kx
A(k,) =0.08 A(k,0) A(k,) ky k kx
A(k,) =0.10 A(k,0) A(k,) ky k kx
A(k,) =0.12 A(k,0) A(k,) ky k kx
A(k,) =0.14 A(k,0) A(k,) ky k kx
A(k,) =0.16 A(k,0) A(k,) ky k kx
A(k,) =0.18 A(k,0) A(k,) ky k kx
A(k,) =0.20 A(k,0) A(k,) ky k kx
A(k,) =0.22 A(k,0) A(k,) ky k kx
A(k,) =0.24 A(k,0) A(k,) ky k kx
Entropy Experiment: LSCO (T/t*0.035) J.R. Cooper & J.W. Loram ED 20 sites EMDT+NCA
& EMDT+NCA ED 20 sites
Hall coefficient T~1000K LSCO: T. Nishikawa, J. Takeda & M. Sato (1994)