期刊
APPLIED PHYSICS EXPRESS
卷 12, 期 6, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.7567/1882-0786/ab2360
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资金
- Japan Science and Technology agency (JST) CREST [JPMJCR1777, JPMJCR18I2]
- Japan Society for the Promotion of Science (JSPS) KAKENHI [18K04926, 18H05212]
- Building of Consortia for the Development of Human Resources in Science and Technology
- Super computer Center, the Institute for Solid State Physics, the University of Tokyo
- Grants-in-Aid for Scientific Research [18K04926] Funding Source: KAKEN
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. (C) 2019 The Japan Society of Applied Physics
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