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Various scenarios of metal-insulator transition in strongly correlated materials
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SYSNO ASEP 0366054 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Various scenarios of metal-insulator transition in strongly correlated materials Author(s) Kuneš, Jan (FZU-D) RID, ORCID, SAI
Anisimov, V.I. (RU)Source Title Annalen der Physik. - : Wiley - ISSN 0003-3804
Roč. 523, 8-9 (2011), 682-688Number of pages 8 s. Language eng - English Country US - United States Keywords electronic correlations ; metal-insulator transition ; dynamical mean-field theory Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GAP204/10/0284 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z10100521 - FZU-D (2005-2011) UT WOS 000294590400012 DOI 10.1002/andp.201100027 Annotation 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. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2012
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