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.
| Original language | English |
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| Article number | 267601 |
| Journal | Physical Review Letters |
| Volume | 97 |
| Issue number | 26 |
| DOIs | |
| Publication status | Published - 1 Dec 2006 |