Abstract
We have investigated the mechanical and thermo-physical properties of HfN in B1 and high pressure B2 phases by means of full-potential linearized augmented plane wave method. The calculated data is in good agreement with the experiments. HfN is observed to be mechanically stable in B1 as well as in B2 phases and show brittleness in B1 phase whereas ductility in B2 phase. Calculated values for the thermo-physical properties need experimental validation in both the phases.
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