Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study

doi:10.1088/1674-1056/ac00a2

中国物理B ›› 2021, Vol. 30 ›› Issue (9): 96105-096105.doi: 10.1088/1674-1056/ac00a2

Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study

Feng-Chun Pan(潘凤春), Xue-Ling Lin(林雪玲), and Xu-Ming Wang(王旭明)^†

School of Physics and Electronic-Electrical Engineering, Ningxia University, Yinchuan 750021, China

收稿日期:2021-04-02 修回日期:2021-05-07 接受日期:2021-05-13 出版日期:2021-08-19 发布日期:2021-08-19
通讯作者: Xu-Ming Wang E-mail:wang_xm@126.com
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11764032 and 11665018).

Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study

Feng-Chun Pan(潘凤春), Xue-Ling Lin(林雪玲), and Xu-Ming Wang(王旭明)^†

School of Physics and Electronic-Electrical Engineering, Ningxia University, Yinchuan 750021, China

Received:2021-04-02 Revised:2021-05-07 Accepted:2021-05-13 Online:2021-08-19 Published:2021-08-19
Contact: Xu-Ming Wang E-mail:wang_xm@126.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11764032 and 11665018).

摘要/Abstract

摘要： In view of the importance of enhancing ferromagnetic (FM) coupling in dilute magnetic semiconductors (DMSs), the effects of strain on the electronic structures and magnetic properties of (Ga,Fe)Sb were examined by a first-principles study. The results of the investigation indicate that Fe_{m Ga} substitution takes place in the low-spin state (LSS) with a total magnetic moment of 1μ_B in the strain range of -3% to 0.5%, which transitions to the high-spin state (HSS) with a total magnetic moment of 5μ_B as the strain changes from 0.6% to 3%. We attribute the changes in the amount and distribution of the total moment to the influence of the crystal field under different strains. The FM coupling is strongest under a strain of about 0.5%, but gradually becomes weaker with increasing compressive and tensile strains. The magnetic coupling mechanism is discussed in detail. Our results highlight the important contribution of strain to magnetic moment and FM interaction intensity, and present an interesting avenue for the future design of high Curie temperature (T_C) materials in the (Ga,Fe)Sb system.

关键词: GaSb, Fe, ferromagnetism, strain

Abstract: In view of the importance of enhancing ferromagnetic (FM) coupling in dilute magnetic semiconductors (DMSs), the effects of strain on the electronic structures and magnetic properties of (Ga,Fe)Sb were examined by a first-principles study. The results of the investigation indicate that Fe_{m Ga} substitution takes place in the low-spin state (LSS) with a total magnetic moment of 1μ_B in the strain range of -3% to 0.5%, which transitions to the high-spin state (HSS) with a total magnetic moment of 5μ_B as the strain changes from 0.6% to 3%. We attribute the changes in the amount and distribution of the total moment to the influence of the crystal field under different strains. The FM coupling is strongest under a strain of about 0.5%, but gradually becomes weaker with increasing compressive and tensile strains. The magnetic coupling mechanism is discussed in detail. Our results highlight the important contribution of strain to magnetic moment and FM interaction intensity, and present an interesting avenue for the future design of high Curie temperature (T_C) materials in the (Ga,Fe)Sb system.

Key words: GaSb, Fe, ferromagnetism, strain

中图分类号: (Defects and impurities in crystals; microstructure)

61.72.-y

71.15.Pd (Molecular dynamics calculations (Car-Parrinello) and other numerical simulations) 71.20.-b (Electron density of states and band structure of crystalline solids)

Feng-Chun Pan(潘凤春), Xue-Ling Lin(林雪玲), and Xu-Ming Wang(王旭明). Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study[J]. 中国物理B, 2021, 30(9): 96105-096105.

Feng-Chun Pan(潘凤春), Xue-Ling Lin(林雪玲), and Xu-Ming Wang(王旭明). Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study[J]. Chin. Phys. B, 2021, 30(9): 96105-096105.

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Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study

Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study

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