Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation

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	Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation
	Huang MZ ; Ching WY ; Gu ZQ
刊名	journal of applied physics
	1997
卷号	81 期号:8 页码:5112-5114
关键词	NEUTRON-DIFFRACTION SOLID-SOLUTIONS MOSSBAUER SUBSTITUTION ANISOTROPY
ISSN号	0021-8979
通讯作者	huang mz univ missouridept physkansas citymo 64110.
中文摘要	the magnetic properties of the nd2fe17-xsix intermetallic compounds are studied by means of spin-polarized supercell calculations in which the selected sites of substitution are close to the situations in real samples. it is shown that the average fe moment increases with x and saturates near x = 3. this correlates quite well with the experimental dependence of te on x. the difference between supercell and unit cell calculations are pointed out and the influence of si atoms on the density of states of the nearby fe atoms is emphasized. (c) 1997 american institute of physics.
学科主题	半导体物理
收录类别	SCI
语种	英语
公开日期	2010-11-17
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/15233]
专题	半导体研究所_中国科学院半导体研究所（2009年前）
推荐引用方式 GB/T 7714	Huang MZ,Ching WY,Gu ZQ. Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation[J]. journal of applied physics,1997,81(8):5112-5114.
APA	Huang MZ,Ching WY,&Gu ZQ.(1997).Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation.journal of applied physics,81(8),5112-5114.
MLA	Huang MZ,et al."Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation".journal of applied physics 81.8(1997):5112-5114.