QQ客服 官方微博 反馈留言

	First-principles calculations of magnetism of Fe atomic sheet
	Gao, T. H. ; Lu, D. M. ; Wu, S. Q. ; Zhu, Z. Z. ; Zhu ZZ(朱梓忠)
	2011-04
关键词	TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET GRAPHENE SYSTEMS METALS FILMS
英文摘要	National Natural Science Foundation of China [10774124]; The electronic and the magnetic properties of Fe single-layered atomic slices separately with two-dimensional square and hexagonal structures are calculated by the first-principles method based on the spin-polarized density functional theory. The calculations show that planar square and hexagonal as well as the bcc structures manifest their magnetisms at their equilibrium lattice constants. The magnetic moments for these structures are 2. 65, 2.54 and 2. 20 mu(B), respectively. The calculated magnetic properties for the elongated and the compressed bond lengths suggest that when the bond is stretched to a length larger than 4. 40 angstrom, the bond should be broken and the magnetic moments of the systems reach the magnetic moment of an independent Fe atom, 4 mu(B). When the bond lengths are reduced, the magnetic moments of all the systems studied decrease correspondingly. At the critical bond lengths (1. 80 angstrom for planar square lattice, and 1. 75 angstrom for hexagonal lattice), the magnetisms of the two planar lattices disappear. Using the Stoner theory, the change from magnetism to non-magnetism for the lattice compression is elucidated.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/69377]
专题	物理技术－已发表论文
推荐引用方式 GB/T 7714	Gao, T. H.,Lu, D. M.,Wu, S. Q.,et al. First-principles calculations of magnetism of Fe atomic sheet[J],2011.
APA	Gao, T. H.,Lu, D. M.,Wu, S. Q.,Zhu, Z. Z.,&朱梓忠.(2011).First-principles calculations of magnetism of Fe atomic sheet..
MLA	Gao, T. H.,et al."First-principles calculations of magnetism of Fe atomic sheet".(2011).

个性服务

查看访问统计

相关权益政策

暂无数据

收藏/分享

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。