A generalization of the semiempirical microscopic model of hardness is presented and applied to currently studied borides, carbides, and nitrides of heavy transition metals. The hardness of OsB, OsC, OsN, PtN, RuC, RuB₂, ReB₂, OsB₂, IrN₂, PtN₂, and OsN₂ crystals in various structural phases is predicted. It is found that none of the transition metal crystals is superhard, i.e., with hardness greater than 40 GPa. The presented method provides materials researchers with a practical tool in the search for new hard materials.
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A. Šimůneḱ (2007) studied this question.
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