Novel Superhard sp(3) Carbon Allotrope from Cold-Compressed C-70 Peapods

doi:10.1103/PhysRevLett.118.245701

CAS OpenIR > 中科院上海应用物理研究所2011-2019年

	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
Source Publication	PHYSICAL REVIEW LETTERS
ISSN	0031-9007
Volume	118 Issue:24 Pages:-
Subtype	期刊论文
Abstract	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.
Keyword	Augmented-wave Method Molecular-mechanics Encapsulated C-60 Crystal-structure Building-blocks High-pressure Nanotubes Graphite Dynamics Diamond
DOI	10.1103/PhysRevLett.118.245701
Indexed By	SCI
WOS Keyword	AUGMENTED-WAVE METHOD ; MOLECULAR-MECHANICS ; ENCAPSULATED C-60 ; CRYSTAL-STRUCTURE ; BUILDING-BLOCKS ; HIGH-PRESSURE ; NANOTUBES ; GRAPHITE ; DYNAMICS ; DIAMOND
Language	英语
WOS ID	WOS:000403341900005
Citation statistics
Document Type	期刊论文
Identifier	http://ir.sinap.ac.cn/handle/331007/28751
Collection	中科院上海应用物理研究所2011-2019年
Recommended Citation GB/T 7714	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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