中国物理B ›› 2016, Vol. 25 ›› Issue (6): 67503-067503.doi: 10.1088/1674-1056/25/6/067503

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Role of vacancy-type defects in magnetism of GaMnN

Hai-Ying Xing(邢海英), Yu Chen(陈雨), Chen Ji(纪骋), Sheng-Xiang Jiang(蒋盛翔), Meng-Yao Yuan(苑梦尧), Zhi-Ying Guo(郭志英), Kun Li(李琨), Ming-Qi Cui(崔明启), Guo-Yi Zhang(张国义)   

  1. 1 School of Electronics and Information Engineering, Tianjin Polytechnic University, Tianjin 300387, China;
    2 Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China;
    3 Research Center for Wide-band Semiconductors, Peking University, Beijing 100871, China
  • 收稿日期:2015-11-17 修回日期:2016-02-29 出版日期:2016-06-05 发布日期:2016-06-05
  • 通讯作者: Zhi-Ying Guo E-mail:zyguo@ihep.ac.cn
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 61204008, 11075176, and 11505211) and the National Key Basic Research Special Foundation of China (Grant No. 2013CB328705).} aisebox{\ht\strutbox}{\hypertarget{cauthor}} ^#

Role of vacancy-type defects in magnetism of GaMnN

Hai-Ying Xing(邢海英)1,2, Yu Chen(陈雨)2, Chen Ji(纪骋)3, Sheng-Xiang Jiang(蒋盛翔)3, Meng-Yao Yuan(苑梦尧)2, Zhi-Ying Guo(郭志英)2, Kun Li(李琨)2, Ming-Qi Cui(崔明启)2, Guo-Yi Zhang(张国义)3   

  1. 1 School of Electronics and Information Engineering, Tianjin Polytechnic University, Tianjin 300387, China;
    2 Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China;
    3 Research Center for Wide-band Semiconductors, Peking University, Beijing 100871, China
  • Received:2015-11-17 Revised:2016-02-29 Online:2016-06-05 Published:2016-06-05
  • Contact: Zhi-Ying Guo E-mail:zyguo@ihep.ac.cn
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 61204008, 11075176, and 11505211) and the National Key Basic Research Special Foundation of China (Grant No. 2013CB328705).} aisebox{\ht\strutbox}{\hypertarget{cauthor}} ^#

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摘要：

Role of vacancy-type (N vacancy (VN) and Ga vacancy (VGa)) defects in magnetism of GaMnN is investigated by first-principle calculation. Theoretical results show that both the VN and VGa influence the ferromagnetic state of a system. The VN can induce antiferromagnetic state and the VGa indirectly modify the stability of the ferromagnetic state by depopulating the Mn levels in GaMnN. The transfer of electrons between the vacancy defects and Mn ions results in converting Mn3+ (d4) into Mn2+ (d5). The introduced VN and the ferromagnetism become stronger and then gradually weaker with Mn concentration increasing, as well as the coexistence of Mn3+ (d4) and Mn2+ (d5) are found in GaMnN films grown by metal--organic chemical vapor deposition. The analysis suggests that a big proportion of Mn3+ changing into Mn2+ will reduce the exchange interaction and magnetic correlation of Mn atoms and lead to the reduction of ferromagnetism of material.

关键词: GaMnN, vacancy defect, ferromagnetism, first-principles calculation, MOCVD

Abstract:

Role of vacancy-type (N vacancy (VN) and Ga vacancy (VGa)) defects in magnetism of GaMnN is investigated by first-principle calculation. Theoretical results show that both the VN and VGa influence the ferromagnetic state of a system. The VN can induce antiferromagnetic state and the VGa indirectly modify the stability of the ferromagnetic state by depopulating the Mn levels in GaMnN. The transfer of electrons between the vacancy defects and Mn ions results in converting Mn3+ (d4) into Mn2+ (d5). The introduced VN and the ferromagnetism become stronger and then gradually weaker with Mn concentration increasing, as well as the coexistence of Mn3+ (d4) and Mn2+ (d5) are found in GaMnN films grown by metal--organic chemical vapor deposition. The analysis suggests that a big proportion of Mn3+ changing into Mn2+ will reduce the exchange interaction and magnetic correlation of Mn atoms and lead to the reduction of ferromagnetism of material.

Key words: GaMnN, vacancy defect, ferromagnetism, first-principles calculation, MOCVD

中图分类号:  (Magnetic semiconductors)

  • 75.50.Pp
63.20.dk (First-principles theory) 67.80.dj (Defects, impurities, and diffusion)