Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes

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	Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes
	H. Y. Niu; X. Q. Chen; S. B. Wang; D. Z. Li; W. D. L. Mao; Y. Y. Li
	2012
发表期刊	Physical Review Letters
ISSN	0031-9007
卷号	108 期号:13
摘要	We report a general scheme to systematically construct two classes of structural families of superhard sp(3) carbon allotropes of cold-compressed graphite through the topological analysis of odd 5 + 7 or even 4 + 8 membered carbon rings stemmed from the stacking of zigzag and armchair chains. Our results show that the previously proposed M, bct-C-4, W and Z allotropes belong to our currently proposed families and that depending on the topological arrangement of the native carbon rings numerous other members are found that can help us understand the structural phase transformation of cold-compressed graphite and carbon nanotubes (CNTs). In particular, we predict the existence of two simple allotropes, R and P carbon, which match well the experimental x-ray diffraction patterns of cold-compressed graphite and CNTs, respectively, display a transparent wide-gap insulator ground state and possess a large Vickers hardness comparable to diamond.
部门归属	[niu, haiyang; chen, xing-qiu; li, dianzhong; li, yiyi] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [wang, shibing; mao, wendy l.] stanford univ, dept geol & environm sci, stanford, ca 94305 usa. [mao, wendy l.] stanford inst mat & energy sci, slac natl accelerator lab, menlo pk, ca 94025 usa.;chen, xq (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china.;xingqiu.chen@imr.ac.cn
关键词	X-ray-diffraction Hexagonal Diamond Transparent Phase Room-temperature High-pressure Transformation Fullerenes C-60 Gpa
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60172
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Niu,X. Q. Chen,S. B. Wang,et al. Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes[J]. Physical Review Letters,2012,108(13).
APA	H. Y. Niu,X. Q. Chen,S. B. Wang,D. Z. Li,W. D. L. Mao,&Y. Y. Li.(2012).Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes.Physical Review Letters,108(13).
MLA	H. Y. Niu,et al."Families of Superhard Crystalline Carbon Allotropes Constructed via Cold Compression of Graphite and Nanotubes".Physical Review Letters 108.13(2012).