Electronic Structures and Properties of V, Nb and Ta Metals

来源期刊：中南大学学报(英文版)2000年第1期

论文作者：HE Yu XIE You-qing

文章页码：7 - 11

Key words：electronic structure; potential curve; cohesive energy; lattice parameter; elasticity; linear thermal expansion efficient; V; Nb; Ta

Abstract: The electronic structures of pure V, Nb andTa metalswith 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 linearthermal 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.