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-orbitcoupling for these oxide superconductor systems....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-orbitcoupling for these oxide superconductor systems. The inner-orbit coupling was resulted from theinteraction of two electronic orbits of RE 5p and O 2s, since they have similar energy state levelsand relatively larger orbital electronic clouds. Compared with experimental facts, it is also foundthat the overlap in space between the two orbits has a similar tendency to T_c and the number ofenrolling electrons has a close relation to J_c, therefore, the influence of inner-orbit coupling onsuperconductivity could not be overlooked.展开更多
文摘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-orbitcoupling for these oxide superconductor systems. The inner-orbit coupling was resulted from theinteraction of two electronic orbits of RE 5p and O 2s, since they have similar energy state levelsand relatively larger orbital electronic clouds. Compared with experimental facts, it is also foundthat the overlap in space between the two orbits has a similar tendency to T_c and the number ofenrolling electrons has a close relation to J_c, therefore, the influence of inner-orbit coupling onsuperconductivity could not be overlooked.
