Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C-4 phase of carbon
文献类型：期刊论文
| 作者 | Wei, P. Y.; Sun, Y.; Chen, X. -Q.; Li, D. Z.; Li, Y. Y. |
| 刊名 | APPLIED PHYSICS LETTERS
 |
| 出版日期 | 2010-08-09 |
| 卷号 | 97期号:6页码:3 |
| 关键词 | adsorption anisotropic media carbon compressibility density functional theory equations of state optical properties order-disorder transformations valence bands |
| ISSN号 | 0003-6951 |
| DOI | 10.1063/1.3479478 |
| 通讯作者 | Wei, P. Y.() |
| 英文摘要 | By hybrid density functional theory, we have investigated anisotropies in the electronic, optical, and mechanical properties of the body centered tetragonal C-4 phase of carbon. We predict a strong electronic anisotropy associated with the in-plane carbon-carbon covalent bonds and the zigzag carbon chains along the c-direction (out-of-plane), which results in a state-resolved directional distribution of valence electrons at the top of the valence band. The calculated adsorption spectra display highly anisotropic features which are already manifested at ambient pressure by a substantial difference (2 eV) for the absorption edges between the in-plane and out-of-plane components of the tetragonal cell. Similar anisotropic features in the elastic compressibility are also discussed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3479478] |
| 资助项目 | Chinese Academy of Sciences ; Institute for Metal Research, CAS |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000280940900029 |
| 出版者 | AMER INST PHYSICS |
| 资助机构 | Chinese Academy of Sciences ; Institute for Metal Research, CAS |
| 源URL | [http://ir.imr.ac.cn/handle/321006/100815]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wei, P. Y. |
| 作者单位 | Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wei, P. Y.,Sun, Y.,Chen, X. -Q.,et al. Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C-4 phase of carbon[J]. APPLIED PHYSICS LETTERS,2010,97(6):3. |
| APA | Wei, P. Y.,Sun, Y.,Chen, X. -Q.,Li, D. Z.,&Li, Y. Y..(2010).Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C-4 phase of carbon.APPLIED PHYSICS LETTERS,97(6),3. |
| MLA | Wei, P. Y.,et al."Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C-4 phase of carbon".APPLIED PHYSICS LETTERS 97.6(2010):3. |
入库方式： OAI收割
来源：金属研究所
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