Exchange and Correlation Effects in Electronic Excitations of
- 28 December 2006
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 97 (26), 267601
- https://doi.org/10.1103/physrevlett.97.267601
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.Keywords
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