Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C-4 phase of carbon

doi:10.1063/1.3479478

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	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.
通讯作者	Wei, P. Y.()
	2010-08-09
发表期刊	APPLIED PHYSICS LETTERS
ISSN	0003-6951
卷号	97 期号:6 页码:3
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]
关键词	adsorption anisotropic media carbon compressibility density functional theory equations of state optical properties order-disorder transformations valence bands
资助者	Chinese Academy of Sciences ; Institute for Metal Research, CAS
DOI	10.1063/1.3479478
收录类别	SCI
语种	英语
资助项目	Chinese Academy of Sciences ; Institute for Metal Research, CAS
WOS研究方向	Physics
WOS类目	Physics, Applied
WOS记录号	WOS:000280940900029
出版者	AMER INST PHYSICS
引用统计	被引频次：17[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/100814
专题	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.