MOLECULAR-ORBITAL EXPLANATION OF SURFACE MAGNETISM OF ALPHA-FE

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	MOLECULAR-ORBITAL EXPLANATION OF SURFACE MAGNETISM OF ALPHA-FE
	LI, ZQ ; LUO, HL ; LAI, WY ; ZHENG, QQ
刊名	PHYSICA STATUS SOLIDI B-BASIC RESEARCH
	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
内容类型	期刊论文
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.