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 | P. Y. Wei ; Y. Sun ; X. Q. Chen ; D. Z. Li ; Y. Y. Li |
| 刊名 | Applied Physics Letters
 |
| 出版日期 | 2010 |
| 卷号 | 97期号:6 |
| 关键词 | adsorption anisotropic media carbon compressibility density functional theory equations of state optical properties order-disorder transformations valence bands molecular-dynamics metals |
| ISSN号 | 0003-6951 |
| 中文摘要 | 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] |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31575]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | P. Y. Wei,Y. Sun,X. Q. Chen,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). |
| APA | P. Y. Wei,Y. Sun,X. Q. Chen,D. Z. Li,&Y. Y. Li.(2010).Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C(4) phase of carbon.Applied Physics Letters,97(6). |
| MLA | P. Y. Wei,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). |
入库方式： OAI收割
来源：金属研究所
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