TY - JOUR
T1 - First-principles prediction of the control of magnetic properties in Fe-doped GaSb and InSb
AU - Shinya, Hikari
AU - Fukushima, Tetsuya
AU - Masago, Akira
AU - Sato, Kazunori
AU - Katayama-Yoshida, Hiroshi
N1 - Funding Information:
The authors acknowledge the financial support from JST CREST (Grant No. JPMJCR1777), JSPS Core-to-Core Program, A. Advanced Research Networks “Computational Nano-materials Design on Green Energy,” and Future Research Initiative Group Support Project on “Computational Nano-Materials Design: New Strategic Materials.” We acknowledge the financial support from MEXT KAKENHI (Grant Nos. 22104012, 26286074, 16K21155, and 18K04926) and from Japan Science and Technology agency (JST) PREST. T.F. acknowledges the support from “Building of Consortia for the Development of Human Resources in Science and Technology” and the Supercomputer Center, the Institute for Solid State Physics, the University of Tokyo.
Publisher Copyright:
© 2018 Author(s).
PY - 2018/9/14
Y1 - 2018/9/14
N2 - Recently, Fe-doped semiconductors have been attracting much attention as ferromagnetic semiconductors due to the possibility that they may exhibit high Curie temperatures and low power consumption and that they may be useful for high-speed spin devices. High Curie temperature ferromagnetism has been observed in Fe-doped InAs, from which both n- and p-type ferromagnetic semiconductors can be fabricated. In order to obtain a higher Curie temperature than that of (In, Fe)As, we have focused on GaSb and InSb as host semiconductors. We have investigated their electronic structures, magnetic properties, and structural stability by using the Korringa-Kohn-Rostoker Green's function method within density functional theory. We have found that (Ga, Fe)Sb and (In, Fe)Sb show complex magnetic properties, which are determined by the correlation between magnetic exchange coupling constants and chemical pair interactions. Isoelectronic Fe-doped GaSb and InSb have strong antiferromagnetic interactions due to the super-exchange mechanism. By shifting the Fermi level-i.e., by n- or p-type doping-(Ga, Fe)Sb and (In, Fe)Sb can be made to undergo a magnetic transition from antiferromagnetic to ferromagnetic ordering. This transition can be well understood in terms of the Alexander-Anderson-Moriya mechanism. Our calculations indicate the possibility of manipulating (Ga, Fe)Sb and (In, Fe)Sb to achieve high Curie temperatures.
AB - Recently, Fe-doped semiconductors have been attracting much attention as ferromagnetic semiconductors due to the possibility that they may exhibit high Curie temperatures and low power consumption and that they may be useful for high-speed spin devices. High Curie temperature ferromagnetism has been observed in Fe-doped InAs, from which both n- and p-type ferromagnetic semiconductors can be fabricated. In order to obtain a higher Curie temperature than that of (In, Fe)As, we have focused on GaSb and InSb as host semiconductors. We have investigated their electronic structures, magnetic properties, and structural stability by using the Korringa-Kohn-Rostoker Green's function method within density functional theory. We have found that (Ga, Fe)Sb and (In, Fe)Sb show complex magnetic properties, which are determined by the correlation between magnetic exchange coupling constants and chemical pair interactions. Isoelectronic Fe-doped GaSb and InSb have strong antiferromagnetic interactions due to the super-exchange mechanism. By shifting the Fermi level-i.e., by n- or p-type doping-(Ga, Fe)Sb and (In, Fe)Sb can be made to undergo a magnetic transition from antiferromagnetic to ferromagnetic ordering. This transition can be well understood in terms of the Alexander-Anderson-Moriya mechanism. Our calculations indicate the possibility of manipulating (Ga, Fe)Sb and (In, Fe)Sb to achieve high Curie temperatures.
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U2 - 10.1063/1.5046912
DO - 10.1063/1.5046912
M3 - Article
AN - SCOPUS:85053414421
VL - 124
JO - Journal of Applied Physics
JF - Journal of Applied Physics
SN - 0021-8979
IS - 10
M1 - 103902
ER -