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Ab InitioCalculation of Self-Energy Effects on Optical Properties of GaAs(110)
- Source :
- Physical Review Letters. 81:5374-5377
- Publication Year :
- 1998
- Publisher :
- American Physical Society (APS), 1998.
-
Abstract
- We present a first-principles calculation of self-energy effects on the optical properties of the GaAs(110) surface. Three main results are obtained. (a) The self-energy shifts for the valence bands are larger for surface-localized states, at odds with the commonly assumed ``scissor operator'' hypothesis. (b) The computed shifts display an almost linear dependence on the surface localization of the wave function; this allows us to realize a well-converged calculation of optical properties based on the $\mathrm{GW}$-corrected spectrum. (c) The agreement with experimental data is improved with respect to local-density-approximation calculations.
Details
- ISSN :
- 10797114 and 00319007
- Volume :
- 81
- Database :
- OpenAIRE
- Journal :
- Physical Review Letters
- Accession number :
- edsair.doi.dedup.....2d1e3dc7f0ed5f577f04f114fc7cac20
- Full Text :
- https://doi.org/10.1103/physrevlett.81.5374