Journal
PHYSICAL REVIEW LETTERS
Volume 97, Issue 26, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.97.267601
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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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