NiMnSb化合物的原子无序对半金属性的影响

NiMnSb化合物的原子无序对半金属性的影响

任尚坤, 蔡孟秋, 黄嵩岭, 姬广斌, 张凤鸣，都有为

南京大学物理系固体微结构国家重点实验室，江苏省纳米技术重点实验室，南京 210093

收稿日期:2004-01-06 修回日期:1900-01-01 出版日期:2004-10-26 发布日期:2004-10-26
通讯作者: 任尚坤

Effects of disorder of atoms on half-metallic character for NiMnSb compound

REN Shang-kun, CAI Meng-qiu, HUANG Song-ling, JI Guang-bin, ZHANG Feng-ming, DU You-wei

National Laboratory of Solid State Microstructures, Jiangsu Provincial Laboratory for Nano-technology,Department of Physics, Nanjing University, Nanjing 210093, China

Received:2004-01-06 Revised:1900-01-01 Online:2004-10-26 Published:2004-10-26
Contact: REN Shang-kun

摘要/Abstract

摘要： 根据第一原理利用线性缀加平面波（LAPW）法，计算了half-Heusler结构NiMnSb化合物3种原子有序态的电子能态密度分布. 结果表明, 不同的原子有序态间的转变无序将导致电子自旋极化率的降低或材料半金属性的消失.

关键词: 半金属, 铁磁合金, half-Heusler结构, NiMnSb

Abstract: The electronic band structures of three ordered states of half-Heusler NiMnSb were calculated by means of LAPW method according to first-principle. The result indicates that the transition disorder between different ordered band states will result in the decreasing of electronic spin polariza bility and disappearing of half-metal character of materials.

Key words: half-metallic, ferromagnetic alloy, half-Heusler stru cture, NiMnSb

中图分类号:

TM27

任尚坤, 蔡孟秋, 黄嵩岭, 姬广斌, 张凤鸣，都有为. NiMnSb化合物的原子无序对半金属性的影响[J]. J4, 2004, 42(04): 597-599.

REN Shang-kun, CAI Meng-qiu, HUANG Song-ling, JI Guang-bin, ZHANG Feng-ming, DU You-wei. Effects of disorder of atoms on half-metallic character for NiMnSb compound[J]. J4, 2004, 42(04): 597-599.

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