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Chinese Academy of Sciences Institutional Repositories Grid
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
DOI10.1063/1.3479478
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.

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来源:金属研究所

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