Mn掺杂AlN半导体的半金属铁磁性质

A study of half-metallic ferromagnetism in Mn-doped AlN semiconductor

使用基于局域自旋密度泛函理论的第一性原理方法对Mn掺杂闪锌矿AlN半导体的电磁性质进行了研究。结果发现:Al0.96875Mn0.03125N合金显示出明显的半金属铁磁性,晶胞的总磁矩为4.0μB,主要来自于磁性金属Mn原子,其近邻N原子也有微弱贡献。这一研究对在半导体工业中实现自旋载流子的注入具有一定的理论价值。

The electronic structure and ferromagnetism of Mn-doped zinc-blende AlN have been investigated by using the first-principleS method within the local spin density approximation. It is shown that Al0.096875Mn0.03125N alloy exhibits clear half-metallic ferromagnetism, and that the total magnetic moment of the cell is 4.0μB, which comes mainly from Mn atoms with minor contributions of the neighboring N atoms. It may be valuable in semiconductor industry for spin-carrier injection.