Abstract
The electronic and elastic properties of 5d transition metal monocarbides with tungsten carbide structure have been studied by first principles calculations. The calculated lattice parameters, elastic properties, and hardness are in good agreement with available experimental and other theoretical values. The hardness calculations indicate that ReC and WC are the harder materials among the corresponding 5d transition metal monocarbides. We find that a valence electron number of 10/cell may have a causal relationship with the highest hardness of WC.
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