Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe1xCox alloys

Soner Steiner, Sergii Khmelevskyi, Martijn Marsmann, and Georg Kresse
Phys. Rev. B 93, 224425 – Published 23 June 2016

Abstract

The magnetic anisotropy energy of tetragonally distorted disordered alloys Fe 1xCox 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.

  • Figure
  • Figure
  • Figure
  • Figure
  • Received 28 December 2015
  • Revised 15 May 2016

DOI:https://doi.org/10.1103/PhysRevB.93.224425

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Soner Steiner1, Sergii Khmelevskyi1,2, Martijn Marsmann1, and Georg Kresse1

  • 1Institut für Materialphysik and Center for Computional Materials Science, Universität Wien, Sensengasse 8, 1090 Vienna, Austria
  • 2Center for Computational Materials Science, Vienna University of Technology, Wiedner Hauptstrasse 8, 1040 Vienna, Austria

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 93, Iss. 22 — 1 June 2016

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×