Publications in Scientific Journals:

S. Steiner, S. Khmelevskyi, M. Marsman, G. Kresse:
"Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe1-xCox alloys";
Physical Review B, 93 (2016), 2244251 - 2244256.

English abstract:
The magnetic anisotropy energy of tetragonally distorted disordered alloys Fe 1−xCox is calculated by
two different virtual crystal approximation methods and an averaged supercell method within the projectedaugmented-
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.

Created from the Publication Database of the Vienna University of Technology.