Modeling of Co impurity in Cu host using DFT+ED

0566519 - FZÚ 2023 RIV GB eng J - Článek v odborném periodiku
Tchaplianka, Maxim - Shick, Alexander - Kolorenč, Jindřich
Modeling of Co impurity in Cu host using DFT+ED.
Journal of Physics: Conference Series. Roč. 2164, č. 1 (2022), č. článku 012045. ISSN 1742-6588. E-ISSN 1742-6596
Grant CEP: GA MŠMT(CZ) EF16_019/0000760; GA ČR(CZ) GA21-09766S
Grant ostatní: OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institucionální podpora: RVO:68378271
Klíčová slova: electron correlations * density-functional theory * transition metals
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Způsob publikování: Open access

We investigate the electronic structure of a cobalt atom in a copper host using the density functional theory and the exact diagonalization of an Anderson impurity model. The spectral functions and spin moments at the impurity are calculated and are found to be close the ones calculated by DFT+QMC.
Trvalý link: https://hdl.handle.net/11104/0337846