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Ab InitioCalculation of Self-Energy Effects on Optical Properties of GaAs(110)

Authors :
Giovanni Onida
Rodolfo Del Sole
Lucia Reining
Olivia Pulci
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