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21世紀COEセミナー「Combination of the KKR-method and the LSDA+DMFT scheme」

日時 平成18年(2006年)9月22日(金)16:40〜
場所 理学研究科H棟6階 中セミナー室(H601)
講師 Hubert Ebert 教授(ミュンヘン大学, ドイツ)
題目 Combination of the KKR-method and the LSDA+DMFT scheme
概要 The main features of the KKR-band structure are briefly reviewed including its spin-polarized relativistic version. Application to the valence band photoemission of noble metals demonstrates that a very good agreement can be achieved on this basis. This also applies for the spin-orbit induced Fano-effect. For the pure ferromagnets Fe, Co and Ni, however, discrepancies occur that have to be ascribed to correlation effects. To deal with this problem a combination of the KKR-method with the recently developed LSDA+DMFT (dynamical mean field theory) scheme was worked out. This combined KKR-DMFT approach leads to rather satisfying agreement, as it is demonstrated for ground state as well as spectroscopic properties.

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