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

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	Anisotropy in electronic, optical, and mechanical properties of superhard body-centered tetragonal C(4) phase of carbon
	P. Y. Wei; Y. Sun; X. Q. Chen; D. Z. Li; Y. Y. Li
	2010
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	97 期号:6
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]
部门归属	[wei, p. y.; sun, y.; chen, x. -q.; li, d. z.; li, y. y.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;wei, py (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china;xingqiu.chen@imr.ac.cn
关键词	Adsorption Anisotropic Media Carbon Compressibility Density Functional Theory Equations Of State Optical Properties Order-disorder Transformations Valence Bands Molecular-dynamics Metals
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31575
专题	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).