Premium
Electronic Structure of High‐Temperature Superconductors: Comparison of Theory and Experiment
Author(s) -
Kasowski Robert V.
Publication year - 1990
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1990.tb06432.x
Subject(s) - superconductivity , antiferromagnetism , condensed matter physics , electronic structure , high temperature superconductivity , optical conductivity , ab initio , electronic band structure , materials science , density of states , electrical resistivity and conductivity , physics , quantum mechanics
The ab initio pseudofunction method has been used to compute electronic properties of superconductors in good agreement with experiment. La 2 CuO 4 and CuO are computed to be antiferromagnetic and semiconducting in agreement with experiment. The 0.4‐eV peak in the optical conductivity spectrum has been shown to be an interband transition for YBa 2 Cu 3 O 7 . The bands for Bi 2 Sr 2 CaCu 2 O 8 as well as YBa 2 Cu 3 O 7 agree well with angle‐resolved photoemission near E f . The shake‐up peaks near 9 and 12 eV observed in photoemissio can be understood in terms of two‐electron processes envolving the local densities of states of Cu and O. A mechanism for superconductivity based on these electronic properties will be advanced. All calculations use local density potentials with no parameters.