物理化学学报 >> 1992, Vol. 8 >> Issue (04): 445-451.doi: 10.3866/PKU.WHXB19920405

研究论文 上一篇    下一篇

双Tl-O层Tl-Ba-Ca-Cu氧化物超导体的能带结构

曹阳; 刘坚   

  1. 苏州大学化学系,苏州 215006;苏州铁道师范学院化学系,苏州 215009
  • 收稿日期:1991-03-13 修回日期:1991-08-10 发布日期:1992-08-15
  • 通讯作者: 曹阳

Energy Band Structures of Duble Tl-O Layer Tl-Ba-Ca-Cu Oxide Superconductors

Cao Yang; Liu Jian   

  1. Department of Chemistry, Suzhou University, Suzhou 215006; Department of Chemistry, Suzhou Railway Teachers College, Suzhou 215009
  • Received:1991-03-13 Revised:1991-08-10 Published:1992-08-15
  • Contact: Cao Yang

摘要: 利用EHT近似下的紧束缚能带结构计算方法计算了Tl-Ba-Ca-Cu氧化物超导体双Tl-O层体系的能带结构。计算结果表明费米面在a~*b~*面上是封闭的, 费米能级上电子态密度的增加和体系转变湿度(T_c)的提高是相一致的。Cu-O面上Cu和O的净电荷有规律的变化说明, Cu-O面上Cu和O的离子价态可影响该体系的超导电性。

关键词: 能带结构, Tl-Ba-Ca-Cu-O, 超导体

Abstract: We calculated the energy band structures of the double TI-O layer TI-Ba-Ca-CuO oxide superconductors by performing the tight-binding band structure calculation method on the basis of EHT approximation. The results show that the Fermi surfaces are closed on the a~*b~* plane. The increase of electronic state densities on the Fermi level is consistent with the raise of T_c in this system. The regular changing of the net charges of Cu and O indicates that the ionic states of Cu and O in Cu-O plane may influence the superconductivity of this system.

Key words: Band structure, Tl-Ba-Ca-Cu-O, Superconductor