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Regulating the dopant clustering in LiZnAs-based diluted magnetic semiconductor |
| Zihang Jia(贾子航)1, Bo Zhou(周波)1,2,†, Zhenyi Jiang(姜振益)1,2,‡, and Xiaodong Zhang(张小东)1,2,3,4,§ |
1 Institute of Modern Physics, Northwest University, Xi'an 710069, China;
2 Shaanxi Key Laboratory for Theoretical Physics Frontiers, Northwest University, Xi'an 710069, China;
3 Department of Physics, Chinese University of Hong Kong, Hong Kong SAR, China;
4 Beijing Computational Science Research Center, Beijing 100193, China |
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Abstract Tuning of the magnetic interaction plays the vital role in reducing the clustering of magnetic dopant in diluted magnetic semiconductors (DMS). Due to the not well understood magnetic mechanism and the interplay between different magnetic mechanisms, no efficient and universal tuning strategy is proposed at present. Here, the magnetic interactions and formation energies of isovalent-doped (Mn) and aliovalent (Cr)-doped LiZnAs are studied based on density functional theory (DFT). It is found that the dopant-dopant distance-dependent magnetic interaction is highly sensitive to the carrier concentration and carrier type and can only be explained by the interplay between two magnetic mechanisms, i.e., super-exchange and Zener's p-d exchange model. Thus, the magnetic behavior and clustering of magnetic dopant can be tuned by the interplay between two magnetic mechanisms. The insensitivity of the tuning effect to $U$ parameter suggests that our strategy could be universal to other DMS.
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Received: 09 December 2023
Revised: 17 January 2024
Accepted manuscript online: 05 March 2024
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PACS:
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81.70.Jb
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(Chemical composition analysis, chemical depth and dopant profiling)
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75.50.Pp
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(Magnetic semiconductors)
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63.20.dk
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(First-principles theory)
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| Fund: Project supported by the Natural Science Foundation of Shaanxi Province of China (Grant No. 2013JQ1018), the Natural Science Foundation of Department of Education of Shaanxi Province of China (Grant No. 15JK1759) and the Double First-class University Construction Project of Northwest University. The authors are grateful for the financial support of Chinese University of Hong Kong (CUHK) (Grant No. 4053084), University Grants Committee of Hong Kong, China (Grant No. 24300814), and start-up funding of CUHK. |
Corresponding Authors:
Bo Zhou, Zhenyi Jiang, Xiaodong Zhang
E-mail: vickylwq1991@nwu.edu.cn;jiangzhenyi@nwu.edu.cn;zhangxiaodong@nwu.edu.cn
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Cite this article:
Zihang Jia(贾子航), Bo Zhou(周波), Zhenyi Jiang(姜振益), and Xiaodong Zhang(张小东) Regulating the dopant clustering in LiZnAs-based diluted magnetic semiconductor 2024 Chin. Phys. B 33 058101
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