Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon

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	Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon
	H. Y. Niu ; P. Y. Wei ; Y. Sun ; X. Q. Chen ; C. Franchini ; D. Z. Li ; Y. Y. Li
刊名	Applied Physics Letters
	2011
卷号	99 期号:3
关键词	total-energy calculations wave basis-set high-pressure graphite temperature hardness diamond
ISSN号	0003-6951
中文摘要	By means of standard and hybrid density functional theory, we analyzed the electronic, optical, and mechanical properties of the two discovered superhard orthorhombic (W) and monoclinic (M) phases of carbon, synthesized by cold compression. We demonstrated that both phases exhibit a transparent insulating behaviour with indirect band gaps of about 5.4 eV (W) and 4.5 eV (M), and highly isotropic optical spectra, substantially different to those of the related body centered tetragonal C(4) phase. The analysis of the elastic constants and Vickers hardness confirmed that these phases are as hard as the second hardest material c-BC(2)N (C) 201/ American Institute of Physics. [doi:10.1063/1.3610996]
原文出处	://WOS:000293679000018
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/30603]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Niu,P. Y. Wei,Y. Sun,et al. Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon[J]. Applied Physics Letters,2011,99(3).
APA	H. Y. Niu.,P. Y. Wei.,Y. Sun.,X. Q. Chen.,C. Franchini.,...&Y. Y. Li.(2011).Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon.Applied Physics Letters,99(3).
MLA	H. Y. Niu,et al."Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon".Applied Physics Letters 99.3(2011).