【摘 要】
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Electronic structures of REBaCuO(RE=La, Pr, Nd, Sm, Gd, Dy, Ho and Er)systems were calculated by means of SCF-Xα -SW methods. Results show that there is an inn
【机 构】
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Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, Chin
论文部分内容阅读
Electronic structures of REBaCuO(RE=La, Pr, Nd, Sm, Gd, Dy, Ho and Er)systems were calculated by means of SCF-Xα -SW methods. Results show that there is an inner-orbit coupling for these oxide superconductor systems. The inner-orbit coupling was resulted from the interaction of two electronic orbits of RE 5p and O 2s, since they have similar energy state levels and relatively larger orbital electronic clouds. Compared with experimental facts, it is also found that the overlap in space between the two orbits has a similar tendency to Tc and the number of enrolling electrons has a close relation to Jc, therefore, the influence of inner-orbit coupling on superconductivity could not be overlooked.
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