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TT: Tiefe Temperaturen

TT 28: FV-internes Symposium ”Theoretical Modeling of Materials with Correlated Electrons”

TT 28.7: Fachvortrag

Donnerstag, 11. März 2004, 16:55–17:20, H20

Realistic Description of Strongly Correlated Materials — •A. I. Lichtenstein — University of Nijmegen, The Netherlands

Local density approximation (LDA) of density functional theory has been highly successful for electronic structure calculations of different non-correlated ystems. The LDA scheme quite often failed for strongly correlated materials containing transition metals and rare-earth elements with complicated charge, spin and orbital fluctuations. Dynamical mean field theory (DMFT) in combination with the first-principle LDA scheme can be a starting point for a realistic description of various correlated electron materials. We discuss a competition between the local Coulomb interaction and chemical bonding as well as effects of of non-local Coulomb interactions for transiton metal oxides within a cluster LDA+DMFT scheme.