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• W2016306172 abstract "We propose a random solution model for cubic BC(x)N (0.21<x<19.28) crystals and compute the formation energies, elastic moduli and bandgaps for different compositions. Significant deviations of the elastic moduli and lattice parameters from the predictions of Vegard's law reveal that the BC(x)N solid solutions are not a simple mixing of diamond and cubic-BN. The computed bandgaps are substantially lower than those of diamond and BN. Compared to BC(2)N, the BC(x)N solids with higher carbon content (x>2) exhibit better structural stability and higher elastic moduli, making them more attractive as potential superhard materials." @default.
• W2016306172 created "2016-06-24" @default.
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• W2016306172 date "2009-09-08" @default.
• W2016306172 modified "2023-09-27" @default.
• W2016306172 title "Structural stability, mechanical and electronic properties of cubic BC_<i>x</i>N crystals within a random solid solution model" @default.
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• W2016306172 doi "https://doi.org/10.1088/0953-8984/21/40/405401" @default.
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