Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium
文献类型：期刊论文
| 作者 | Wang, JT ; Chen, CF ; Mizuseki, H ; Kawazoe, Y |
| 刊名 | PHYSICAL REVIEW LETTERS
 |
| 出版日期 | 2013 |
| 卷号 | 110期号:16 |
| ISSN号 | 0031-9007 |
| 通讯作者 | Wang, JT (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | Silicon and germanium transform from diamond to beta-tin structure under compression, but upon decompression they turn into metastable BC8 Si and ST12 Ge phases, respectively, instead of returning to the lowest-enthalpy diamond structure. Here we explore by first-principles calculations the atomistic mechanism underlying this intriguing phenomenon. We identify a body-centered tetragonal structure in I4(1)/a (C-4h(6)) symmetry as a precursory state of the BC8 Si phase formed via a double cell bond-rotation mechanism with a low kinetic barrier. Kinetics also play a central role in selecting the decompression pathway in Ge via a trinary cell bond-twisting reconstruction process toward the ST12 Ge phase. In both cases, transformation back to energetically more favorable diamond structure is inhibited by the higher enthalpy barrier. These results explain experimental findings and highlight the kinetic origin of the divergent decompression pathways in Si and Ge. DOI: 10.1103/PhysRevLett.110.165503 |
| 资助信息 | NSFC of China [10974230, 11274356]; DOE [DE-FC52-06NA27684]; CREST project |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/57143]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, JT,Chen, CF,Mizuseki, H,et al. Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium[J]. PHYSICAL REVIEW LETTERS,2013,110(16). |
| APA | Wang, JT,Chen, CF,Mizuseki, H,&Kawazoe, Y.(2013).Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium.PHYSICAL REVIEW LETTERS,110(16). |
| MLA | Wang, JT,et al."Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium".PHYSICAL REVIEW LETTERS 110.16(2013). |
入库方式： OAI收割
来源：物理研究所
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