Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe1-xCox alloys
- Author(s)
- Soner Steiner, Sergii Khmelevskyi, Martijn Marsman, Georg Kresse
- Abstract
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(s)
- Computational Materials Physics
- External organisation(s)
- Technische Universität Wien, Universität Wien
- Journal
- Physical Review B
- Volume
- 93
- No. of pages
- 6
- ISSN
- 1098-0121
- DOI
- https://doi.org/10.1103/PhysRevB.93.224425
- Publication date
- 06-2016
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103025 Quantum mechanics, 103036 Theoretical physics, 103015 Condensed matter, 103009 Solid state physics
- Keywords
- ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials, Condensed Matter Physics
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/calculation-of-the-magnetic-anisotropy-with-projectedaugmentedwave-methodology-and-the-case-study-of-disordered-fe1xcox-alloys(9bd69a04-b0a4-47a8-be7c-cf84d194aa54).html