Role of vacancy-type defects in magnetism of GaMnN  

作　　者：邢海英 陈雨 纪骋 蒋盛翔 苑梦尧 郭志英 李琨 崔明启 张国义 

机构地区：[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

出　　处：《Chinese Physics B》2016年第6期517-522,共6页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant Nos.61204008,11075176,and 11505211);the National Key Basic Research Special Foundation of China(Grant No.2013CB328705)

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 VNand VGainfluence the ferromagnetic state of a system.The VNcan induce antiferromagnetic state and the VGaindirectly 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 VNand 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.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 VNand VGainfluence the ferromagnetic state of a system.The VNcan induce antiferromagnetic state and the VGaindirectly 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 VNand 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 

分 类 号：TN304.7[电子电信—物理电子学]