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Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe1-xCox alloys

Autor(en)
Soner Steiner, Sergii Khmelevskyi, Martijn Marsman, Georg Kresse
Abstrakt

The magnetic anisotropy energy of tetragonally distorted disordered alloys Fe1-xCox is calculated by two different virtual crystal approximation methods and an averaged supercell method within the projected-augmented-wave (PAW) methodology and the magnetic force theorem. The details of the spin-orbit coupling implementation in the PAW methodology are given. We compare our results to the recent coherent potential approximation (CPA) studies, results of full potential calculations, and to the available experiments.

Organisation(en)
Computergestützte Materialphysik
Externe Organisation(en)
Technische Universität Wien, Universität Wien
Journal
Physical Review B
Band
93
Anzahl der Seiten
6
ISSN
1098-0121
DOI
https://doi.org/10.1103/PhysRevB.93.224425
Publikationsdatum
06-2016
Peer-reviewed
Ja
ÖFOS 2012
103025 Quantenmechanik, 103036 Theoretische Physik, 103015 Kondensierte Materie, 103009 Festkörperphysik
Schlagwörter
ASJC Scopus Sachgebiete
Electronic, Optical and Magnetic Materials, Condensed Matter Physics
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/9bd69a04-b0a4-47a8-be7c-cf84d194aa54