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Band structures of al‐doped superconductors YBa 2 Cu 3– x AL x O 7 + δ
Author(s) -
Ming Li
Publication year - 1994
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560500402
Subject(s) - superconductivity , electronic band structure , condensed matter physics , doping , electronic structure , band gap , high temperature superconductivity , materials science , crystallography , physics , chemistry
Based on the EHMO approach, an approximate treatment of electronic energy‐band structures is suggested. By employing this treatment, computations of the band structures for the Al‐doped superconductors YBa 2 Cu 3– x Al x O 7 + δ were carried out. It is shown by analysis of the band structures and the density of states that the 2D Cu–O planes in the YBa–CuO superconducting system play a dominant role in superconductivity, whereas the 1D CuO ribbons have indirectly an influence on superconductivity through the connection of the O(4) atoms to two CuO planes. © 1994 John Wiley & Sons, Inc.