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Urtra-Hard Bonds in P -Carbon Stronger than Diamond

Authors :
LI Zhi-Ping
Guo Wenfeng
Gao Faming
Wang Ling-Sheng
Xia Mei-Rong
Source :
Chinese Physics Letters. 32:096201
Publication Year :
2015
Publisher :
IOP Publishing, 2015.

Abstract

The hardness and ideal strength of P-carbon, i.e., a new carbon phase for the cold-compressed carbon with an orthogonal structure recently proposed and named as P-carbon, are investigated by means of first-principles calculations. The strength calculations reveal that the failure mode in P-carbon is dominated by the tensile type. The ideal tensile strength of P-carbon is calculated to be 76.7 GPa in the [001] direction, which is higher than that of the previously known most stable Z-carbon, of 71.4 GPa. Meanwhile, the theoretical Vickers hardness of P-carbon is estimated as 89 GPa, which is comparable with that of diamond. Especially, two types of bonds in P-carbon with hardness values of 114 GPa and 105 GPa are significantly stronger than those of diamond. The results provide insight into exploration of the ultra-hard P-carbon for potentially technological applications.

Details

ISSN :
17413540 and 0256307X
Volume :
32
Database :
OpenAIRE
Journal :
Chinese Physics Letters
Accession number :
edsair.doi...........26dfdb6fca50a04e912dcd2b55af71b9
Full Text :
https://doi.org/10.1088/0256-307x/32/9/096201