高等学校化学研究 ›› 1999, Vol. 15 ›› Issue (3): 271-280.
Ordered Charge Distribution in Superconductor Tl-Ba-Ca-Cu-O
LI Ping, XIAO Shen-xiu, WANG Rong-shun
- Department of Chemistry, Sichuan University, Chengdu 610064, P. R. China
Ordered Charge Distribution in Superconductor Tl-Ba-Ca-Cu-O
LI Ping, XIAO Shen-xiu, WANG Rong-shun
- Department of Chemistry, Sichuan University, Chengdu 610064, P. R. China
摘要： The layered charges were calculated by means of constructing the complete structure of Tl-Ba-Ca-Cu-O superconductor. The weak link between Cu-O and Ba-O, or between Cu-O and Tl-O or Ba-O or Tl-O layers is explained with the aid of the charge of limited layer unit calculated from the values of ions obtained, in addition to the possibility of forming charges fluctuation, which depends on the π coordination covalent bond on Cu-O plane and O-Tl-O structure. The possible chemical tight bonding orbitals are in accordance with those of other superconductors obtained by quantum theoretical method, which occur at Cu3d(x2-y2) and O2px,y. The valence band composed of Cu 33d and O2p orbital energy levels is obviously an energy band of conduction. The ordered charge on layers is the main reason that raises TC of superconductors. The difference of electronic structure of ab plane and c axis leads to the anisotropy properties.