Urtra-Hard Bonds in P -Carbon Stronger than Diamond
GUO Wen-Feng, WANG Ling-Sheng, LI Zhi-Ping, XIA Mei-Rong, GAO Fa-Ming**
Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004
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.
收稿日期: 2015-05-19
出版日期: 2015-10-02
:
62.20.-x
(Mechanical properties of solids)
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2015, Vol. 32 
