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, latt...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.展开更多
文摘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.
