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 GW-corrected spectrum. (c) The agreement with experimental data is improved with respect to local-density-approximation calculations.
| Original language | English |
|---|---|
| Pages (from-to) | 5374-5377 |
| Number of pages | 4 |
| Journal | Physical Review Letters |
| Volume | 81 |
| Issue number | 24 |
| DOIs | |
| Publication status | Published - 1 Jan 1998 |