IV) Materials calculations with dynamical mean field theory (DMFT)
IV) Materials calculations with dynamical mean field theory (DMFT) IV) Materials calculations with dynamical mean field theory (DMFT)
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10.07.2015
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Mott-Hubbard metal-insulator transition
Experimental motivation — (Cr x V 1−x ) 2 O 3McWhan et al.’73Cr-doping x ≡ volume changeMcWhan, Remeika’70
- Page 1 and 2: IV) Materials calculations withdyna
- Page 3 and 4: Ab-initio electronic Hamiltonian(no
- Page 5 and 6: Ab-initio electronic Hamiltonian(no
- Page 8 and 9: Ab-initio electronic Hamiltonian(no
- Page 10 and 11: LDA+UAnisimov et al.’91LDA+U: Sol
- Page 12 and 13: LDA+DMFTSolveĤ by dynamical mean f
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- Page 23 and 24: LDA+DMFT — overviewMetzner, Vollh
- Page 25 and 26: Dynamical mean field theory (DMFT)d
- Page 27 and 28: Dynamical mean field theory (DMFT)d
- Page 29 and 30: Dynamical mean field theory (DMFT)d
- Page 31 and 32: First something easier......Weiss m
- Page 33 and 34: First something easier......Weiss m
- Page 35 and 36: First something easier......Weiss m
- Page 37 and 38: DMFT self-consistency cycleG(ω) =
- Page 39: DMFT self-consistency cycleG(ω) =
- Page 43 and 44: Experimental motivation — (Cr x V
- Page 45 and 46: One-band Hubbard modelĤ = − t∗
- Page 47 and 48: Numerical results - spectrumSpectru
- Page 49 and 50: Numerical results - spectrumSpectru
- Page 51 and 52: Numerical results - spectrumSpectru
- Page 53 and 54: Numerical results - spectrumSpectru
- Page 55 and 56: Numerical results - spectrumSpectru
- Page 57 and 58: Numerical results - spectrumSpectru
- Page 59 and 60: Numerical results - spectrumSpectru
- Page 61 and 62: Numerical results - spectrumSpectru
- Page 63 and 64: Phase diagramDMFT(NRG) Bulla, Costi
- Page 65 and 66: LDA+DMFT for (V 0.962 Cr 0.038 ) 2
Experimental motivation — (Cr x V 1−x ) 2 O 3McWhan et al.’73Cr-doping x ≡ volume changeMcWhan, Remeika’70
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