Electronic Structure and Magnetic Properties of Cr-Doped AlN
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 3μ.B per Cr atom, which does not change with Cr concentration. Moreover, we have succeeded in predicting that Al1-xCrxN alloys in x=0.0625 has a very high Curie temperature, and find that lerromagnetic exchange interaction between magnetic dopants is short-ranged.
density functional theory electronic structure magnetism Curie temperature
CHEN Hong ZHANG Jun-Feng YUAN Hong-Kuan
School of Physical Science and Technology,Southwest University, Chongqing 400715,China School of Physical Science and Technology, Southwest University,Chongqing 400715, China School of Physical Science and Technology, Southwest University, Chongqing 400715, China
国际会议
广州
英文
1382-1386
2008-11-01（万方平台首次上网日期，不代表论文的发表时间）