Exchange and correlation effects in electronic excitations of Cu2O

TitleExchange and correlation effects in electronic excitations of Cu2O
Publication TypePalaiseau Article
Acknowledgements

None

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.

DOI10.1103/PhysRevLett.97.267601
Bruneval, F, Vast, N, Reining, L, Izquierdo, M, Sirotti, F, Barrett, N
Year of Publication2006
JournalPhys. Rev. Lett.
Volume97
URLhttp://dx.doi.org/10.1103/PhysRevLett.97.267601
Keywordspaper
Abstract

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.

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