title: Exchange and correlation effects in electronic excitations of Cu(2)O.
abstract: State-of-the-art theoretical methods fail in describing the optical absorption spectrum, band gap, and optical onset of Cu(2)O. We have extended a recently proposed self-consistent quasiparticle approach, based on the GW approximation, to the calculation of optical spectra, including excitonic effects. The band structure compares favorably with our present angle-resolved photoemission measurements. The excitonic effects based on these realistic band structure and screening provide a reliable optical absorption spectrum, which allows for a revised interpretation of its main structures.
authors.affiliation: Laboratoire des Solides Irradiés, CEA-CNRS UMR 7642-Ecole Polytechnique, 91128 Palaiseau Cedex, France.
authors.forename: Fabien
authors.initials: F
authors.lastname: Bruneval
authors.forename: Nathalie
authors.initials: N
authors.lastname: Vast
authors.forename: Lucia
authors.initials: L
authors.lastname: Reining
authors.forename: M
authors.initials: M
authors.lastname: Izquierdo
authors.forename: F
authors.initials: F
authors.lastname: Sirotti
authors.forename: N
authors.initials: N
authors.lastname: Barrett