Cubic C3N: A New Superhard Phase of Carbon-Rich Nitride
AbstractUsing the particle swarm optimization technique, we proposed a cubic superhard phase of C3N (c-C3N) with an estimated Vicker’s hardness of 65 GPa, which is more energetically favorable than the recently proposed o-C3N. The c-C3N is the most stable phase in a pressure range of 6.5–15.4 GPa. Above 15.4 GPa, the most energetic favorable high pressure phase R3m-C3N is uncovered. Phonon dispersion and elastic constant calculations confirm the dynamical and mechanical stability of c-C3N and R3m-C3N at ambient pressure. The electronic structure calculations indicate that both c-C3N and R3m-C3N are indirect semiconductor. View Full-Text
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Wei, Q.; Zhang, Q.; Yan, H.; Zhang, M. Cubic C3N: A New Superhard Phase of Carbon-Rich Nitride. Materials 2016, 9, 840.
Wei Q, Zhang Q, Yan H, Zhang M. Cubic C3N: A New Superhard Phase of Carbon-Rich Nitride. Materials. 2016; 9(10):840.Chicago/Turabian Style
Wei, Qun; Zhang, Quan; Yan, Haiyan; Zhang, Meiguang. 2016. "Cubic C3N: A New Superhard Phase of Carbon-Rich Nitride." Materials 9, no. 10: 840.
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