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.
| Original language | English |
|---|---|
| Article number | 224425 |
| Number of pages | 6 |
| Journal | Physical Review B |
| Volume | 93 |
| Issue number | 22 |
| DOIs | |
| Publication status | Published - 23 Jun 2016 |
Funding
Support of the Austrian Science Fund (FWF) within the SBF VICOM (F4109N28) is gratefully acknowledged.
Austrian Fields of Science 2012
- 103025 Quantum mechanics
- 103036 Theoretical physics
- 103015 Condensed matter
- 103009 Solid state physics
Keywords
- APPROXIMATION
- STABILITY
- MOMENTS
- SYSTEM
- ENERGY
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Dive into the research topics of 'Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe1-xCox alloys'. Together they form a unique fingerprint.Projects
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ViCoM II: Vienna Computational Materials Laboratory
Süss, D. (Co-Lead), Kresse, G. (Project Lead), Held, K. (Co-Lead), Verstraete, F. (Co-Lead), Burgdorfer, J. (Project Lead), Mauser, N. (Co-Lead), Blaha, P. (Co-Lead), Mohn, P. (Co-Lead), Podloucky, R. (Co-Lead), Dellago, C. (Co-Lead) & Resch, A. (Admin)
1/06/10 → 30/06/19
Project: Research funding
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