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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 |
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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 Fem Ga substitution takes place in the low-spin state (LSS) with a total magnetic moment of 1μB in the strain range of -3% to 0.5%, which transitions to the high-spin state (HSS) with a total magnetic moment of 5μB 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 (TC) materials in the (Ga,Fe)Sb system.
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Received: 02 April 2021
Revised: 07 May 2021
Accepted manuscript online: 13 May 2021
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PACS:
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61.72.-y
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(Defects and impurities in crystals; microstructure)
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71.15.Pd
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(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
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71.20.-b
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(Electron density of states and band structure of crystalline solids)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11764032 and 11665018). |
Corresponding Authors:
Xu-Ming Wang
E-mail: wang_xm@126.com
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Cite this article:
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 2021 Chin. Phys. B 30 096105
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