利用第一性原理局域密度自旋近似方法，研究了缺陷诱导的GaN的内禀磁性以及Si掺杂对缺陷GaN磁性的影响.研究发现缺陷诱导GaN的内禀磁矩为3μB,Si掺杂后缺陷诱导的GaN磁矩发生淬灭为2μB.随Si含量的增加磁矩进一步减少.该理论结果对实验有指导意义.

Using the first principle method within the local spin density approximation, both the magnetism of defect induced in GaN and the effect of Si codoping on the magnetism in GaN with defect were investigated. It was found that defectinduced intrinsic magnetic moment of GaN is 3μB, while the magnetic moment is quenched to 2μB in Sicodoping GaN:Si. The magnetic moment decreases with the increase of the concentration of Si. The result is very helpful for experiments.