| Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C-4 phase of carbon | |
| Wei, P. Y.; Sun, Y.; Chen, X. -Q.; Li, D. Z.; Li, Y. Y. | |
| Corresponding Author | Wei, P. Y.() |
| 2010-08-09 | |
| Source Publication | APPLIED PHYSICS LETTERS
 |
| ISSN | 0003-6951 |
| Volume | 97Issue:6Pages:3 |
| Abstract | 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] |
| Keyword | adsorption anisotropic media carbon compressibility density functional theory equations of state optical properties order-disorder transformations valence bands |
| Funding Organization | Chinese Academy of Sciences ; Institute for Metal Research, CAS |
| DOI | 10.1063/1.3479478 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | Chinese Academy of Sciences ; Institute for Metal Research, CAS |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied |
| WOS ID | WOS:000280940900029 |
| Publisher | AMER INST PHYSICS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/100814 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wei, P. Y. |
| Affiliation | Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| Recommended Citation 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. |
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