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