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

Ordered Charge Distribution in Superconductor Tl-Ba-Ca-Cu-O
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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. 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.
出处 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1999年第3期271-280,共10页 高等学校化学研究(英文版)
关键词 SUPERCONDUCTOR Ordered charge Completing structure Exchange and correlation potential Layer Superconductor Ordered charge Completing structure Exchange and correlation potential Layer
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