Electronic structure and optical spectra ofLuInCu4andYbMCu4 (M=Cu,Ag, Au, Pd, and In)

Abstract

Optical reflectivity measurements over a wide spectral range and at different temperatures together with self-consistent electronic band structure calculations have been used to investigate the electronic structure of the ${\mathrm{LuInCu}}_{4}$ and $\mathrm{Yb}M{\mathrm{Cu}}_{4} (M=\mathrm{C}\mathrm{u},\mathrm{A}\mathrm{g},\mathrm{A}\mathrm{u},\mathrm{P}\mathrm{d},\mathrm{I}\mathrm{n})$ compounds. The electronic structure of the compounds is investigated theoretically using an energy-band approach in combination with the linear-response formalism. The energy-band structure is obtained within the local-spin-density approximation (LSDA) and within its extension that explicitly takes into account the on-site $4f$ Coulomb interaction $U (\mathrm{LSDA}+U).$ A remarkable agreement between theory and experiment has been found.