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Various scenarios of metal-insulator transition in strongly correlated materials

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    SYSNO ASEP0366054
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitleVarious scenarios of metal-insulator transition in strongly correlated materials
    Author(s) Kuneš, Jan (FZU-D) RID, ORCID, SAI
    Anisimov, V.I. (RU)
    Source TitleAnnalen der Physik. - : Wiley - ISSN 0003-3804
    Roč. 523, 8-9 (2011), 682-688
    Number of pages8 s.
    Languageeng - English
    CountryUS - United States
    Keywordselectronic correlations ; metal-insulator transition ; dynamical mean-field theory
    Subject RIVBM - Solid Matter Physics ; Magnetism
    R&D ProjectsGAP204/10/0284 GA ČR - Czech Science Foundation (CSF)
    CEZAV0Z10100521 - FZU-D (2005-2011)
    UT WOS000294590400012
    DOI10.1002/andp.201100027
    AnnotationWe 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.
    WorkplaceInstitute of Physics
    ContactKristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
    Year of Publishing2012
Number of the records: 1  

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