The Effect of N Vacancy on GaN Doped by Fe

摘要：

Using general graduated approximation (GGA) of the ab-initio based on density functional theory (DFT),three models of possible double Fe doping GaN and three models of possible N vacancy and double Fe codoping GaN were calculated.The results show that in the three models of double Fe doping GaN,the energies of antiferromagnetism (AFM) are lower than the ones of ferromagnetism (FM),which shows that the ground state of Fe doping GaN will be AFM,this agrees on the conclusion of literature 15.After adding vacancies 2 and 3 respectively,we found a ferrimagnetic (FIM) ground state.But after adding vacancy 1,the ground state was still AFM.

关键词： DMS AFM FIM N vacancy Fe doping GaN

作者: Yufeng Wang Chong Yang Tingting Guo

作者单位: School of Physics and Nuclear Energy Engineering,Beihang University,Beijing,100191,China

会议类型: 国际会议

会议名称: 2012 2nd International Conference on Advanced Material Research(2012 第二届先进材料研究国际会议 ICAMR2012)

会议地点: 成都

会议语种:英文

页码: 560-564

在线出版日期: 2012-01-07（万方平台首次上网日期，不代表论文的发表时间）