Abstract
The hardnesses of various phases of group IVA and IVB nitrides (M3N4, M=C, Si, Ge, Sn, Ti, Zr or Hf; MN, M=Ti, Zr or Hf) were calculated using the bond electronegativity model for material hardness. The hardnesses of group IV nitrides increase with an increase in their average coordination numbers except for carbon nitrides, for which increasing the average coordination numbers results in a reduction in hardness. We suggest that for light-element compounds, the diamond-like structure represents the hardest one among all possible structures, whereas a high coordination number is generally required for heavy-element compounds to achieve high hardness values. This work provides a useful guide for designing novel nitride materials having excellent mechanical performances.
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