【摘 要】
：
A novel carbon allotrope,which is named as I-carbon,was proposed based on the First principles method.I-carbon exhibits an IMMA space group structure.The phonon
【机 构】
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Key Laboratory of Electrical Engineering,Heilongjiang University,The Department of Astronautics Scie
【出 处】
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Journal of the Chinese Ceramic Society
论文部分内容阅读
A novel carbon allotrope,which is named as I-carbon,was proposed based on the First principles method.I-carbon exhibits an IMMA space group structure.The phonon dispersion calculations confirm that I-carbon has a kinetically stable structure.The calculated maximum Young modulus of I-carbon is 920.38 GPa,the maximum compressive strength is 423.17 GPa and the hardness is 83.08 GPa,which are similar to the corresponding values of diamond.The results obtained in this study could be promising for the potential applications of I-carbon in high-strength materials or ceramics.
A novel carbon allotrope, which is named as I-carbon, was proposed based on the First principles method. I-carbon exhibits an IMMA space group structure. Phonon dispersion calculations confirm that I-carbon has a kinetically stable structure. Young modulus of I-carbon is 920.38 GPa, the maximum compressive strength is 423.17 GPa and the hardness is 83.08 GPa, which are similar to the corresponding values of diamond. The results obtained in this study could be promising for the potential applications of I- carbon in high-strength materials or ceramics.
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