A superhard carbon structure(Ibam-C) and its BN phase(Pccm-BN) have been proposed through first principles calculations. The calculated electron bands indicate that both of them are semiconductors. The calculated elastic constants at 0GPa and phonon dispersion at 0 and 100GPa confirm that they are mechanical and dynamic stable. The Vickers hardness is calculated to be 78.2 GPa for Ibam-C and 56.7 GPa for Pccm-BN. The calculated ideal strength further confirm their superhardness characteristics.

中文翻译：

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碳的超硬同素异形体：Ibam-C及其BN相

通过第一性原理计算，提出了超硬碳结构（Ibam-C）及其BN相（Pccm-BN）。计算出的电子带表明它们都是半导体。计算出的0GPa弹性常数和0和100GPa的声子色散证明它们是机械和动态稳定的。对于Ibam-C，维氏硬度经计算为78.2 GPa，对于Pccm-BN，维氏硬度为56.7 GPa。计算出的理想强度进一步证实了它们的超硬度特性。