TY - JOUR
KW - paper
AU - Olivia Pulci
AU - G Onida
AU - Rodolfo Del Sole
AU - Lucia Reining
AB - 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 \textquoteleft\textquoteleftscissor operator\textquoteright\textquoteright 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.
BT - Phys. Rev. Lett.
CY - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
DA - DEC 14
M1 - 24
N2 - 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 \textquoteleft\textquoteleftscissor operator\textquoteright\textquoteright 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.
PB - AMERICAN PHYSICAL SOC
PP - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
PY - 1998
SP - 5374
EP - 5377
T2 - Phys. Rev. Lett.
TI - Ab initio calculation of self-energy effects on optical properties of GaAs(110)
VL - 81
ER -