Ordered Charge Distribution in Superconductor Tl-Ba-Ca-Cu-O

作     者：LI Ping XIAO Shen xiu WANG Rong shun 

作者机构：Department of ChemistrySichuan UniversityChengdu 610064P.R.China 

出 版 物：《Chemical Research in Chinese Universities》 (高等学校化学研究(英文版))

年 卷 期：1999年第15卷第3期

页      面：271-280页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学] 

主　　题：Superconductor Ordered charge Completing structure Exchange and correlation potential Layer 

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 Cu 3d (x 2-y 2) and O 2p x,y . The valence band composed of Cu 3d and O 2p orbital energy levels is obviously an energy band of conduction. The ordered charge on layers is the main reason that raises T c of superconductors. The difference of electronic structure of ab plane and c axis leads to the anisotropy properties.