Die u:cris Detailansicht:
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