Theoretical investigation of epitaxial deformation and the hcp-bcc transition of alkali metals

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	Theoretical investigation of epitaxial deformation and the hcp-bcc transition of alkali metals
	Li WX(李微雪); Wang ZQ(王自强)
刊名	Physical Review B
	1999
通讯作者邮箱	wxli@fhi-berlin.mpg.de
卷号	60 期号:17 页码:11954-11962
ISSN号	1098-0121
通讯作者	Li, WX (reprint author), Chinese Acad Sci, Inst Mech, Lab Nonlinear Mech Continuous Media, Beijing 100080, Peoples R China.
中文摘要	The deformation of alkali metals K, Rb, and Cs under epitaxial deformation is studied via the ab initio pseudopotential plane wave method using the local-density approximation. Under loading from the stable fee phase, metastable stares along directions [001], [111], and [201] are identified. One metastable state, presented at direction [201], has a very low symmetry in contrast to the planes [001] and [201]. Our results show that the softening direction and sequences of growth is significantly affected by the existence of the metastable states and magnitude of the energy barrier. The resulting softening sequences from soft to hard are [201], [110], [001], and [111] under biaxial compression and [001], [111], [201], and [110] under biaxial tension. An orthorhombic deformation path is used to investigate the fact, that the structure of the alkali films K and Cs evolve from the quasihexagonal structure into the (110)-oriented bcc structure, observed by experiments.
学科主题	力学
类目[WOS]	Physics, Condensed Matter
研究领域[WOS]	Physics
收录类别	SCI
语种	英语
WOS记录号	WOS:000083808700030
公开日期	2007-06-15
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/17232]
专题	力学研究所_力学所知识产出(1956-2008)
推荐引用方式 GB/T 7714	Li WX,Wang ZQ. Theoretical investigation of epitaxial deformation and the hcp-bcc transition of alkali metals[J]. Physical Review B,1999,60(17):11954-11962.
APA	李微雪,&王自强.(1999).Theoretical investigation of epitaxial deformation and the hcp-bcc transition of alkali metals.Physical Review B,60(17),11954-11962.
MLA	李微雪,et al."Theoretical investigation of epitaxial deformation and the hcp-bcc transition of alkali metals".Physical Review B 60.17(1999):11954-11962.