Electronic structure and optical spectra of LuInCu4 and YbMCu4 (M= Cu, Ag,Au, Pd, and In)

Citation
Vn. Antonov et al., Electronic structure and optical spectra of LuInCu4 and YbMCu4 (M= Cu, Ag,Au, Pd, and In), PHYS REV B, 62(3), 2000, pp. 1742-1752
Citations number
54
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
3
Year of publication
2000
Pages
1742 - 1752
Database
ISI
SICI code
0163-1829(20000715)62:3<1742:ESAOSO>2.0.ZU;2-B
Abstract
Optical reflectivity measurements over a wide spectral range and at differe nt temperatures together with self-consistent electronic band structure cal culations have been used to investigate the electronic structure of the LuI nCu4 and YbMCu4 (M = Cu,Ag,Au,Pd,In) compounds. The electronic structure of the compounds is investigated theoretically using an energy-band approach in combination with the linear-response formalism. The energy-hand structur e is obtained within the local-spin-density approximation (LSDA) and within its extension that explicitly takes into account the on-site 4f Coulomb in teraction Lr (LSDA + U). A remarkable agreement between theory and experime nt has been found.