摘要
本文基于 EHMO 计算讨论了帽氯原子(O_(IV))的位移对 YBa_2Cu_3 O_(i-y)(y0.19)正交相电子能带结构、Fermi 面及 Fermi 面电子态密度的影响,结果表明 O_(IV)原子的位移改善了 YBa_2 Cu_3 O_(i-x)体系的电子能带结构,导致了体系中铜原子价态的混合和 Fermi 面电子态富度的增大,我们的工作证明 O_(IV)原子在其平衡位置附近的振动对 YBa_2 Cu_3 O_(i-y)超导体的高T_c
The EHMO calculation has been performed for the effect of the capping-oxygen(O_Ⅳ)displacement on the band electronic str- ucture,the Fermi surface and the density of state in the supe- rconductor orthorhombic YBa_2Cu_3O_(-y)=(y=0.19).It reveals that the displacement of O_Ⅳ has improved the band electronic struc- ture,and has led to the valence fluctuations of the copper atom and tne increasing of DOS at Fermi level.Our work indicates that the vibration of O_Ⅳ at its equilibrim position in the ortho- rhombic YBa_2Cu_3O_(-y)(y=0.19)will have great conteibution to its high Tc.
出处
《东北师大学报（自然科学版）》
CAS
CSCD
1990年第1期61-65,共5页
Journal of Northeast Normal University(Natural Science Edition)
