首页|Regulating the dopant clustering in LiZnAs-based diluted magnetic semiconductor

Regulating the dopant clustering in LiZnAs-based diluted magnetic semiconductor

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Tuning of the magnetic interaction plays the vital role in reducing the clustering of magnetic dopant in diluted mag-netic 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.

diluted magnetic semiconductordopant distributionfirst-principles calculations

贾子航、周波、姜振益、张小东

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Institute of Modern Physics,Northwest University,Xi'an 710069,China

Shaanxi Key Laboratory for Theoretical Physics Frontiers,Northwest University,Xi'an 710069,China

Department of Physics,Chinese University of Hong Kong,Hong Kong SAR,China

Beijing Computational Science Research Center,Beijing 100193,China

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陕西省自然科学基金Natural Science Foundation of Department of Education of Shaanxi Province of ChinaDouble Firstclass University Construction Project of Northwest UniversityChinese University of Hong Kong(CUHK)University Grants Committee of Hong Kong,Chinastartup funding of CUHK

2013JQ101815JK1759405308424300814

2024

10.1088/1674-1056/ad3034

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(5)
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