Journal of Changshu Institute of TechnologyIssue(2)：14-18,5.
CuFeSb电子结构和磁性的第一性原理研究
Magnetic Structure and Electronic Properties of CuFeSb
摘要
Abstract
The crystal structure, electronic structure and magnetic properties of CuFeSb have been studied in de⁃tail by means of first-principle calculations. In contrast with the metallic antiferromagnetic (AFM) or supercon⁃ducting state of iron pnictides and chalcogenides under current studies, CuFeSb exhibits a metallic, ferromagnet⁃ic (FM) state. By analyzing the d orbits of Fe, the authors of this paper find that its localization relatively de⁃creases. The interactions among planar Fe atoms are stronger and it is related with the metallic, ferromagnetic state of CuFeSb.关键词
CuFeSb/第一性原理计算/电子结构/磁性Key words
CuFeSb/first-principle calculations/electronic structure/magnetic property分类
数理科学引用本文复制引用
潘妍,于海林,钱斌,江学范,郭磊,吕群,谷全超..CuFeSb电子结构和磁性的第一性原理研究[J].Journal of Changshu Institute of Technology,2013,(2):14-18,5.基金项目
国家自然科学基础研究项目“Co基Heusler合金半金属磁性隧道结界面特性及电子极化输运性质研究” （）
