Počet záznamů: 1

Various scenarios of metal-insulator transition in strongly correlated materials

  1. 1.
    0366054 - FZU-D 2012 RIV US eng J - Článek v odborném periodiku
    Kuneš, Jan - Anisimov, V.I.
    Various scenarios of metal-insulator transition in strongly correlated materials.
    Annalen der Physik. Roč. 523, 8-9 (2011), 682-688 ISSN 0003-3804
    Grant CEP: GA ČR GAP204/10/0284
    Výzkumný záměr: CEZ:AV0Z10100521
    Klíčová slova: electronic correlations * metal-insulator transition * dynamical mean-field theory
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 0.841, rok: 2011

    We review our investigations of electronic properties of strongly correlated materials using the combination of first principles electronic band structures and the dynamical mean-field theory, so called LDA+DMFT method. Our investigations focus on two phenomena, the spin state transitions and their relationship to the metal-insulator transition, and the effect of hybridization between correlated and ligand orbitals in charge-transfer type materials. The pressure driven spin transitions are studied for a group of materials containing MnO, FeO and Fe2O3. To investigate the hybridization effects we focus on NiO and NiS(Se)2. We identify various mechanisms of the metal-insulator transition, which can take place in multi-band systems, in addition to the band-width control known from the single band Hubbard model.
    Trvalý link: http://hdl.handle.net/11104/0201148