Theoretical prediction of maximum Curie temperatures of Fe-based dilute magnetic semiconductors by first-principles calculations

Tetsuya Fukushima, Hikari Shinya, Akira Masago, Kazunori Sato, Hiroshi Katayama-Yoshida

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

We clarify the maximum Curie temperatures in Mn- and Fe-based dilute magnetic semiconductors by first-principles calculations. For this purpose, the electronic structure and magnetic properties in the spinodal-decomposed zinc-blende type MnAs, MnSb, FeAs, and FeSb are calculated by the Korringa-Kohn-Rostoker Green's function method combined with the variational pseudo self-interaction correction. Our calculations clearly show that these zinc-blende materials have a possibility of very high Curie temperature by an n- or p-type Fermi level shift, and that the estimated Curie temperature by the mean field approximation reaches 1 000 K.

Original languageEnglish
Article number063006
JournalApplied Physics Express
Volume12
Issue number6
DOIs
Publication statusPublished - 2019 Jun 1

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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