THE LOCAL-DENSITY APPROXIMATION (LDA) BAND-STRUCTURE AND FERMI-SURFACE OF YBA2CU3O7 (Y123)

Authors
RODRIGUEZ CO WEHT R CHRISTENSEN NE
Citation
Co. Rodriguez et al., THE LOCAL-DENSITY APPROXIMATION (LDA) BAND-STRUCTURE AND FERMI-SURFACE OF YBA2CU3O7 (Y123), Physica. C, Superconductivity, 282, 1997, pp. 1621-1622
Citations number
6
Categorie Soggetti
Physics, Applied
Journal title
Physica. C, Superconductivity → ACNP
ISSN journal
09214534
Volume
282
Year of publication
1997
Part
3
Pages
1621 - 1622
Database
ISI
SICI code
0921-4534(1997)282:<1621:TLA(BA>2.0.ZU;2-7
Abstract
The bandstructure and Fermi surface (FS) of Y123 are presented. These calculations have been carried out to extreme convergence and could be taken as the LDA answer. Two different set of results for the Electri c Field Gradients (EFGs) at all nuclear sites are shown which only dif fer in the structure used as input and thus serve to establish the sen sitivity of ab-initio calculations for complex structures.