MOLECULAR-ORBITAL EXPLANATION OF SURFACE MAGNETISM OF ALPHA-FE
文献类型：期刊论文
| 作者 | LI, ZQ ; LUO, HL ; LAI, WY ; ZHENG, QQ |
| 刊名 | PHYSICA STATUS SOLIDI B-BASIC RESEARCH
 |
| 出版日期 | 1991 |
| 卷号 | 166期号:1页码:241 |
| 关键词 | ELECTRONIC-STRUCTURE CLUSTER CALCULATIONS ALLOYS |
| ISSN号 | 0370-1972 |
| 通讯作者 | LI, ZQ: CHINESE ACAD SCI,INST PHYS,POB 603,BEIJING,PEOPLES R CHINA. |
| 中文摘要 | The electronic structure and magnetic properties of bulk and surface of alpha-Fe are studied by a SCF-LCAO-MO method within the local density functional theory. The enhancement of surface magnetic moment is observed and attributed to the decrease of overlaps of atomic orbitals on the surface, which is related to the coordination number and the occupation of localized antibonding orbitals near the Fermi level. The vacancies on the surface are found to increase the magnetic moment of the adjacent atom. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/42271]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | LI, ZQ,LUO, HL,LAI, WY,et al. MOLECULAR-ORBITAL EXPLANATION OF SURFACE MAGNETISM OF ALPHA-FE[J]. PHYSICA STATUS SOLIDI B-BASIC RESEARCH,1991,166(1):241. |
| APA | LI, ZQ,LUO, HL,LAI, WY,&ZHENG, QQ.(1991).MOLECULAR-ORBITAL EXPLANATION OF SURFACE MAGNETISM OF ALPHA-FE.PHYSICA STATUS SOLIDI B-BASIC RESEARCH,166(1),241. |
| MLA | LI, ZQ,et al."MOLECULAR-ORBITAL EXPLANATION OF SURFACE MAGNETISM OF ALPHA-FE".PHYSICA STATUS SOLIDI B-BASIC RESEARCH 166.1(1991):241. |
入库方式： OAI收割
来源：物理研究所
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