Local environment effects in the magnetic properties and electronic structure of disordered FePt

0479398 - FZÚ 2018 RIV US eng J - Článek v odborném periodiku
Khan, S.A. - Minár, J. - Ebert, H. - Blaha, P. - Šipr, Ondřej
Local environment effects in the magnetic properties and electronic structure of disordered FePt.
Physical Review B. Roč. 95, č. 1 (2017), s. 1-9, č. článku 014408. ISSN 2469-9950. E-ISSN 2469-9969
Institucionální podpora: RVO:68378271
Klíčová slova: alloys * magnetism * CPA * Madelung
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 3.813, rok: 2017

Local aspects of magnetism of disordered FePt are investigated by ab initio fully relativistic full-potential calculations, employing the supercell approach and the coherent potential approximation (CPA). The focus is on trends of the spin and orbital magnetic moments with chemical composition and with bond lengths around the Fe and Pt atoms. A small but distinct difference between average magnetic moments obtained when using the supercells and when relying on the CPA is identified and linked to the neglect of the Madelung potential in the CPA.
Trvalý link: http://hdl.handle.net/11104/0275371