Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods
Yang, XG; Yao, MG; Wu, XY; Liu, SJ; Chen, SL; Yang, K; Liu, R; Cui, T; Sundqvist, B; Liu, BB
2017
发表期刊PHYSICAL REVIEW LETTERS
ISSN0031-9007
卷号118期号:24页码:-
文章类型期刊论文
摘要Design and synthesis of new carbon allotropes have always been important topics in condensed matter physics and materials science. Here we report a new carbon allotrope, formed from cold-compressed C-70 peapods, which most likely can be identified with a fully sp(3)-bonded monoclinic structure, here named V carbon, predicted from our simulation. The simulated x-ray diffraction pattern, near K-edge spectroscopy, and phonon spectrum agree well with our experimental data. Theoretical calculations reveal that V carbon has a Vickers hardness of 90 GPa and a bulk modulus similar to 400 GPa, which well explains the "ring crack" left on the diamond anvils by the transformed phase in our experiments. The V carbon is thermodynamically stable over a wide pressure range up to 100 GPa, suggesting that once V carbon forms, it is stable and can be recovered to ambient conditions. A transition pathway from peapod to V carbon has also been suggested. These findings suggest a new strategy for creating new sp(3)-hybridized carbon structures by using fullerene@nanotubes carbon precursor containing odd-numbered rings in the structures.
关键词Augmented-wave Method Molecular-mechanics Encapsulated C-60 Crystal-structure Building-blocks High-pressure Nanotubes Graphite Dynamics Diamond
DOI10.1103/PhysRevLett.118.245701
关键词[WOS]AUGMENTED-WAVE METHOD ; MOLECULAR-MECHANICS ; ENCAPSULATED C-60 ; CRYSTAL-STRUCTURE ; BUILDING-BLOCKS ; HIGH-PRESSURE ; NANOTUBES ; GRAPHITE ; DYNAMICS ; DIAMOND
收录类别SCI
语种英语
WOS记录号WOS:000403341900005
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/28751
专题中科院上海应用物理研究所2011-2018年
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Yang, XG,Yao, MG,Wu, XY,et al. Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods[J]. PHYSICAL REVIEW LETTERS,2017,118(24):-.
APA Yang, XG.,Yao, MG.,Wu, XY.,Liu, SJ.,Chen, SL.,...&Liu, BB.(2017).Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods.PHYSICAL REVIEW LETTERS,118(24),-.
MLA Yang, XG,et al."Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods".PHYSICAL REVIEW LETTERS 118.24(2017):-.
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