First-Principles Study of the Local Magnetic Moment on a N-Doped Cu_(2)O(111)Surface

作     者：WANG Zhi 王治

作者机构：State Key Laboratory for Superlattices and MicrostructuresInstitute of SemiconductorsChinese Academy of SciencesP.O.Box 912Beijing 100083 

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

年 卷 期：2011年第28卷第12期

页      面：223-226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 under Grant No 60925016 

主　　题：surface Surface 

摘      要：First-principles calculations based on density functional theory within the generalized gradient approximation are used to study on magnetism in N-doped Cu_(2)*** is interesting that nitrogen does not induce magnetism in bulk Cu_(2)O,while shows a total magnetism moment of 1.0µB at the Cu_(2)O(111)surface,which is mainly localized on the doped N *** local magnetic moment at the N−doped Cu_(2)O(111)surface can be explained in terms of the surface state.