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Exchange and correlation effects in electronic excitations of Cu2O

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  • Exchange and correlation effects in electronic excitations of Cu2O
Author
Fabien Bruneval
N Vast
Lucia Reining
M. Izquierdo
Fausto Sirotti
N. Barrett
Keywords
paper
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.

Year of Publication
2006
Journal
Phys. Rev. Lett.
Volume
97
Number of Pages
267601
Date Published
DEC 31
URL
http://dx.doi.org/10.1103/PhysRevLett.97.267601
DOI
10.1103/PhysRevLett.97.267601
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