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.
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Foundation items: The National Natural Science Foundation of China (No. 59671030) and the Open Foundation of State Key Lab for Powder Metallurgy.
Biography of the first author: HE Yu, born in 1975, majoring in materials science.
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He, Y., Xie, Yq. Electronic structures and properties of V, Nb and Ta metals. J Cent. South Univ. Technol. 7, 7–11 (2000). https://doi.org/10.1007/s11771-000-0003-2
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DOI: https://doi.org/10.1007/s11771-000-0003-2