Calculated Electronic Structure and Magnetic Properties of a New Ternary Rare-Earth-Iron Nitride R_(2)Fe_(17)N_(3)

作     者：ZENG Zhi ZHENG Qingqi LAI Wuyan 

作者机构：Institute of Solid State PhysicsAcademia SinicaHefei 230031 Institute of PhysicsAcademia SinicaBeijing 100080 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：1992年第9卷第5期

页      面：262-265页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：Supported by the National Natural Science Foundation of China No.1870757 and the National Magnetism Lab.in Beijing 

主　　题：magnetic structure Rare 

摘      要：Electronic structure and magnetic properties of a new permanent magnetic material R_(2)Fe_(17)N_(3)(R=Sm or Nd)have been studied with self-consistent,spin polarized local spin density functional theory *** cluster models were used to study the electronic structure of this *** location of nitrogen atoms was determined by total energy calculation for clusters with various possible N sites in *** distribution of electrons and the magnetic moments for four kinds of inequivalent Fe atoms have been *** s-d(s-f)exchange interaction for different Fe sites and Sm atoms was also *** role of nitrogen atoms in R_(2)Fe_(17)Nδ(δ=0,3)was discussed.