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	Density functional study of weak ferromagnetism in a thick bicro3 film
	Ding, Jun1,2; Yao, Yugui1,2,3; Kleinman, Leonard3
刊名	Journal of applied physics
	2011-05-15
卷号	109期号:10页码:5
ISSN号	0021-8979
DOI	10.1063/1.3583649
通讯作者	Yao, yugui(ygyao@aphy.iphy.ac.cn)
英文摘要	Very thick films of bicro3 have been grown on a srtio3 substrate, maintaining a tetragonal lattice up to thicknesses of 14,000 angstrom. assuming that we can treat films of this thickness as bulk crystals, we first calculated the experimentally undetermined atomic positions within the unit cell with the measured lattice constant of the film, and then relaxed the lattice constants along with the atomic positions. all of the calculations result in an antiferroelectric crystal with the pnma space group with noncollinear bi displacements. we find g-type antiferromagnetism with a spin-orbit induced weak ferromagnetic component; however, the weak ferromagnetic component can be canceled if the antiferromagnetic spins are oriented along a particular one of the three twofold rotation axes. (c) 2011 american institute of physics. [doi:10.1063/1.3583649]
WOS关键词	MAGNETIC-PROPERTIES ; CRYSTAL
WOS研究方向	Physics
WOS类目	Physics, Applied
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000292115900094
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2373766
专题	物理研究所
通讯作者	Yao, Yugui
作者单位	1.Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China 3.Univ Texas Austin, Dept Phys, Austin, TX 78712 USA
推荐引用方式 GB/T 7714	Ding, Jun,Yao, Yugui,Kleinman, Leonard. Density functional study of weak ferromagnetism in a thick bicro3 film[J]. Journal of applied physics,2011,109(10):5.
APA	Ding, Jun,Yao, Yugui,&Kleinman, Leonard.(2011).Density functional study of weak ferromagnetism in a thick bicro3 film.Journal of applied physics,109(10),5.
MLA	Ding, Jun,et al."Density functional study of weak ferromagnetism in a thick bicro3 film".Journal of applied physics 109.10(2011):5.

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