TY - JOUR
T1 - Theoretical prediction of maximum Curie temperatures of Fe-based dilute magnetic semiconductors by first-principles calculations
AU - Fukushima, Tetsuya
AU - Shinya, Hikari
AU - Masago, Akira
AU - Sato, Kazunori
AU - Katayama-Yoshida, Hiroshi
N1 - Publisher Copyright:
© 2019 The Japan Society of Applied Physics.
PY - 2019/6/1
Y1 - 2019/6/1
N2 - 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.
AB - 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.
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U2 - 10.7567/1882-0786/ab2360
DO - 10.7567/1882-0786/ab2360
M3 - Article
AN - SCOPUS:85069481318
VL - 12
JO - Applied Physics Express
JF - Applied Physics Express
SN - 1882-0778
IS - 6
M1 - 063006
ER -