R. Abt et al., OPTICAL-RESPONSE OF HIGH-TEMPERATURE SUPERCONDUCTORS BY FULL-POTENTIAL LAPW BAND-STRUCTURE CALCULATIONS, Physica. B, Condensed matter, 194, 1994, pp. 1451-1452
Starting from selfconsistent full potential LAPW results we have inves
tigated optical matrix elements for interband transitions and the epsi
lon2 tensor. These calculations are performed for YBa2Cu3O7 and YBa2Cu
4O8. The spectra are analyzed and differences are discussed with respe
ct to the crystal structures of the two systems. Our results are in go
od agreement with the ellipsometric determination of the dielectric fu
nction and previous LMTO calculations.