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First principles calculations were carried out to study the equilibrium properties of metals, including the electrons at bonding critical point; e bcp  ; cohesive energy; E coh  ; bulk modulus; B ; and, atomic volume; V . 44 pure metals, including the s valence (alkali), p valence (groups III to V), and d valence (transition) metals were selected. In the present work, the electronic structure parameter e bcp  has been considered to be a bridge connecting with the equilibrium properties of metals, and relationships between e bcp  and equilibrium properties ( V ; E coh  ; and B ) are established. It is easy to estimate the equilibrium properties ( E coh  ; V , and B ) of pure metals through proposed formulas. The relationships that were derived in the present work might provide a method to study the intrinsic mechanisms of the equilibrium properties of alloys and to develop new alloys.

Correlations of Equilibrium Properties and Electronic Structure of Pure Metals