A new criterion of hardness is proposed based on the analysis of the bonding in fourteen rocksalt-structure solids with the aid of discrete variational Xalpha (DV-Xalpha) cluster calculations. The concept of bond density is introduced to measure the hardness of materials, and there is a good linear relation between bond density and Mohs hardness. Because the calculation does not involve any empirical parameters, it can be conveniently applied to some complicated systems for example, alloys and intermetallic compounds.
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