Exchange and correlation effects in electronic excitations of Cu(2)O.
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.
Bruneval
Fabien
F
Laboratoire des Solides Irradiés, CEA-CNRS UMR 7642-Ecole Polytechnique, 91128 Palaiseau Cedex, France.
Vast
Nathalie
N
Reining
Lucia
L
Izquierdo
M
M
Sirotti
F
F
Barrett
N
N