Journal of Inorganic Materials

• Research Paper • Previous Articles     Next Articles

Electronic Structures of REBaCuO Systems and Its Relation withSuperconductivities

CHEN Ning; ZHANG Bao-Dong; QING Jia; MA Li; LI Fu-Xing   

  1. School of Material Science and Engineering; University of Science and Technology Beijing; Beijing 100083; China
  • Received:2001-05-30 Revised:2001-10-11 Published:2002-05-20 Online:2002-05-20

Abstract: The electronic structures of RECu8O8(RE=La, Pr, Nd, Sm, Gd, Dy, Ho, Er) were calculated by means of SCF-Xα-SW methods. The result shows that: There
is an inner-orbit coupling for these oxide superconductor systems. The inner-orbit coupling is due to interaction of two saturated electronic orbits of RE5p and O2s
since they have a nearly similar energy state level and relatively larger orbital electronic clouds. Compared with experiments, the overlaps in space between two
orbits has a close relation with Tc and the number of enrolling electrons has a similar relation with Jc, therefore the influence of inner-orbit
coupling on superconductivity can not be overlooked.

Key words: structure and properties, electronic structure, oxides, superconductors

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