Using the one atom theory, the electronic structures of pure Cr, Mo and W with bcc structure were determined respectively as: [Ar] (3d c) 3.32 (3d n) 2.26 (4s c) 0.25 (4s f) 0.17 , [Kr] (4d c) 4.23 (4d n) 1.48 (5s c) ...Using the one atom theory, the electronic structures of pure Cr, Mo and W with bcc structure were determined respectively as: [Ar] (3d c) 3.32 (3d n) 2.26 (4s c) 0.25 (4s f) 0.17 , [Kr] (4d c) 4.23 (4d n) 1.48 (5s c) 0.02 (5s f) 0.27 and [Xe](5d c) 5.16 (6s c) 0.25 (6s f) 0.59 .The electronic structures of these metals with hcp and fcc structures and liquid state were also studied. According to their electronic structures, the relationship between the electronic structure and crystalline structure was explained qualitatively and the relationship between the difference of mechanical properties and transport properties of pure Cr, Mo and W with bcc structure and their electronic structures was also explained qualitatively; the lattice constants, binding energy, potential curves, elasticities and the temperature dependence of the linear thermal expansion coefficient of bcc Cr, bcc Mo and bcc W were calculated quantitatively.展开更多
文摘Using the one atom theory, the electronic structures of pure Cr, Mo and W with bcc structure were determined respectively as: [Ar] (3d c) 3.32 (3d n) 2.26 (4s c) 0.25 (4s f) 0.17 , [Kr] (4d c) 4.23 (4d n) 1.48 (5s c) 0.02 (5s f) 0.27 and [Xe](5d c) 5.16 (6s c) 0.25 (6s f) 0.59 .The electronic structures of these metals with hcp and fcc structures and liquid state were also studied. According to their electronic structures, the relationship between the electronic structure and crystalline structure was explained qualitatively and the relationship between the difference of mechanical properties and transport properties of pure Cr, Mo and W with bcc structure and their electronic structures was also explained qualitatively; the lattice constants, binding energy, potential curves, elasticities and the temperature dependence of the linear thermal expansion coefficient of bcc Cr, bcc Mo and bcc W were calculated quantitatively.
