A DFT study of mechanical properties of hcp rhenium

In the present paper, hcp Re was investigated in terms of its structural, elastic, mechanical and thermodynamic properties using density-functional theory (DFT). The local density approximation employed for exchange–correlation potential together with a spin–orbit coupling. computed lattice constant found to be agreement available experimental theoretical results. elastic constants were also calculated used determine like Young’s modulus (Y), shear (G), Poisson’s ratio (n) Vicker’s hardness. From investigations, heat capacity entropy predicted. Although predicted bulk is comparable that diamond, Vickers hardness five times less than diamond. Hence, typical solid high but low