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铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 9    No. 3    September 1999

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Electronic structures and properties of pure vanadium
He Yu(贺 昱), Xie Youqing(谢佑卿), Peng Kun(彭 坤), Liu Xinbi(刘心笔)

Materials Science and Engineering Department Central South University of Technology, Changsha 41083, P.R.China

Abstract:By the one-atom theory the electronic structure of bcc-V has been determined to be [Ar]
(3dn)1.7998(3dc)2.6578(4Sc)0.1711(4sf)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.

 

Key words: vanadium; electronic structure; physical properties

ISSN 1672-7029
CN 43-1423/U

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