Electronic structures and properties of V, Nb and Ta metals

Abstract

The electronic structures of pure V, Nb and Ta metals with bcc structure were determined by one-atom (OA) theory. According to the electronic structures of these metals, their potential curves, cohesive energies, lattice parameters, elasticity and the dependence of linear thermal expansion coefficients on temperature were calculated. The electronic structures and characteristic properties of these metals with fcc and hcp structures and liquid states were studied.

Keywords

electronic structure / potential curve / cohesive energy / lattice parameter / elasticity / linear thermal expansion efficient / V / Nb / Ta

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