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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); Li, WX (reprint author), Chinese Acad Sci, Inst Mech, Lab Nonlinear Mech Continuous Media, Beijing 100080, Peoples R China.
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| Source Publication | Physical Review B
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| 1999 | |
| Volume | 60Issue:17Pages:11954-11962 |
| ISSN | 1098-0121 |
| Abstract | 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. |
| Subject Area | 力学 |
| DOI | 10.1103/PhysRevB.60.11954 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000083808700030 |
| WOS Research Area | Physics |
| WOS Subject | Physics, Condensed Matter |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/17232 |
| Collection | 力学所知识产出(1956-2008) |
| Corresponding Author | Li, WX (reprint author), Chinese Acad Sci, Inst Mech, Lab Nonlinear Mech Continuous Media, Beijing 100080, Peoples R China. |
| Recommended Citation GB/T 7714 | Li WX,Wang ZQ,Li, WX . 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,&Li, WX .(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. |
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