To understand the electronic and magnetic properties, we have studied Cr-doped zinc-blende AlN system in detail by applying a first-principle plane wave pseudopotential method based on the density functional theory wi...To understand the electronic and magnetic properties, we have studied Cr-doped zinc-blende AlN system in detail by applying a first-principle plane wave pseudopotential method based on the density functional theory within the local spin density approximation. The analyses of the band structures, density of states, exchange interactions, and magnetic moments show that Al1-xCrxN alloys may exhibit a half-metallic ferromagnetism character, that Cr in the diluted doping limit forms near-midgap deep levels, and that the total magnetization of the cell is 3μB per Cr atom, which does not change with Cr concentration. Moreover, we have succeeded in predicting that Al1-xCrzN alloys in x = 0.0625 has a very high Curie temperature, and lind that ferromagnetic exchange interaction between magnetic dopants is short-ranged.展开更多
基金The project supported in part by National Natural Science Foundation of China under Grant No. 10575083 Acknowledgments The authors thank Q. Sun and Q. Wang of Physics Department, Virginia Commonwealth University, Richmond, Virginia （USA）, for their comments.
文摘To understand the electronic and magnetic properties, we have studied Cr-doped zinc-blende AlN system in detail by applying a first-principle plane wave pseudopotential method based on the density functional theory within the local spin density approximation. The analyses of the band structures, density of states, exchange interactions, and magnetic moments show that Al1-xCrxN alloys may exhibit a half-metallic ferromagnetism character, that Cr in the diluted doping limit forms near-midgap deep levels, and that the total magnetization of the cell is 3μB per Cr atom, which does not change with Cr concentration. Moreover, we have succeeded in predicting that Al1-xCrzN alloys in x = 0.0625 has a very high Curie temperature, and lind that ferromagnetic exchange interaction between magnetic dopants is short-ranged.
