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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.
Corresponding AuthorWei, P. Y.()
2010-08-09
Source PublicationAPPLIED PHYSICS LETTERS
ISSN0003-6951
Volume97Issue:6Pages:3
AbstractBy 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]
Keywordadsorption anisotropic media carbon compressibility density functional theory equations of state optical properties order-disorder transformations valence bands
Funding OrganizationChinese Academy of Sciences ; Institute for Metal Research, CAS
DOI10.1063/1.3479478
Indexed BySCI
Language英语
Funding ProjectChinese Academy of Sciences ; Institute for Metal Research, CAS
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000280940900029
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/100814
Collection中国科学院金属研究所
Corresponding AuthorWei, P. Y.
AffiliationChinese 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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