Urtra-Hard Bonds in P-Carbon Stronger than Diamond

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...

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Bibliographic Details
Published inChinese physics letters Vol. 32; no. 9; pp. 100 - 104
Main Author 郭文锋 王凌生 李志平 夏美荣 高发明
Format Journal Article
LanguageEnglish
Published 01.09.2015
Subjects
失效模式
抗拉强度
正交结构
硬度值
第一原理计算
计算表
超硬
钻石
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ISSN0256-307X
1741-3540
DOI10.1088/0256-307X/32/9/096201

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Summary: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.T 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.
Bibliography:11-1959/O4
GUO Wen-Feng, WANG Ling-Sheng, LI Zhi-Ping, XIA Mei-Rong, GAO Fa-Ming（Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004）
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.T 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.
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/32/9/096201