Electronic structures and properties of pure vanadium

来源期刊：中国有色金属学报(英文版)1999年第3期

论文作者：贺昱 谢佑卿 彭坤 刘心笔

文章页码：446 - 450

Key words：vanadium; electronic structure; physical properties

Abstract: By the one-atom theory the electronic structure of bcc-V has been determined to be [Ar] (3d_n)^1.7998(3d_c)^2.6578(4S_c)^0.1711(4s_f)^0.3713. According to this electronic structure of bcc-V, its potential curve, cohesive energy, lattice parameter, elasticity and linear thermal expansion coefficient were calculated. The electronic structures of the primary state crystals of fcc-V, hcp-V and the primary state liquid—V have also been studied.