Exchange and correlation effects in electronic excitations of Cu2O
|Title||Exchange and correlation effects in electronic excitations of Cu2O|
|Publication Type||Palaiseau Article|
|Author Address|| |
Bruneval, F (Reprint Author), Ecole Polytech, Solides Irradies Lab, CEA, CNRS,UMR 7642, F-91128 Palaiseau, France. Ecole Polytech, Solides Irradies Lab, CEA, CNRS,UMR 7642, F-91128 Palaiseau, France. ETSF, Palaiseau, France. Synchrotron Soleil, F-91192 Gif Sur Yvette, France. CEA Saclay, DSM, DRECAM, SPCSI, F-91191 Gif Sur Yvette, France.
|Bruneval, F, Vast, N, Reining, L, Izquierdo, M, Sirotti, F, Barrett, N|
|Year of Publication||2006|
|Journal||Phys. Rev. Lett.|
State-of-the-art theoretical methods fail in describing the optical absorption spectrum, band gap, and optical onset of Cu2O. 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.