Electron-hole excitations in the surface bands of GaAs(110) are analyzed using constrained density-functional theory calculations. The results reveal formation of autolocalized Frenkel-type excitons which merge in microscopic “droplets” due to attraction initiated by exciton-induced unrelaxation of the surface. A substantial weakening of the bonding of the topmost Ga atom is found in such an “exciton droplet.” This finding suggests a microscopic mechanism of laser-induced emission of the neutral Ga atoms from GaAs and GaP (110) surfaces.
%0 Journal Article
%1 pankratov1995localized
%A Pankratov, Oleg
%A Scheffler, Matthias
%D 1995
%I APS
%J Physical review letters
%K EDFT excitons theory
%N 4
%P 701
%T Localized excitons and breaking of chemical bonds at III-V (110) surfaces
%V 75
%X Electron-hole excitations in the surface bands of GaAs(110) are analyzed using constrained density-functional theory calculations. The results reveal formation of autolocalized Frenkel-type excitons which merge in microscopic “droplets” due to attraction initiated by exciton-induced unrelaxation of the surface. A substantial weakening of the bonding of the topmost Ga atom is found in such an “exciton droplet.” This finding suggests a microscopic mechanism of laser-induced emission of the neutral Ga atoms from GaAs and GaP (110) surfaces.
@article{pankratov1995localized,
abstract = {Electron-hole excitations in the surface bands of GaAs(110) are analyzed using constrained density-functional theory calculations. The results reveal formation of autolocalized Frenkel-type excitons which merge in microscopic “droplets” due to attraction initiated by exciton-induced unrelaxation of the surface. A substantial weakening of the bonding of the topmost Ga atom is found in such an “exciton droplet.” This finding suggests a microscopic mechanism of laser-induced emission of the neutral Ga atoms from GaAs and GaP (110) surfaces.},
added-at = {2019-02-07T18:03:35.000+0100},
author = {Pankratov, Oleg and Scheffler, Matthias},
biburl = {https://www.bibsonomy.org/bibtex/28a34d329e9c6dc82672f7998a600cd15/skoerbel},
interhash = {830eb06fb2ea62e574a6d7477a85efbb},
intrahash = {8a34d329e9c6dc82672f7998a600cd15},
journal = {Physical review letters},
keywords = {EDFT excitons theory},
number = 4,
pages = 701,
publisher = {APS},
timestamp = {2019-02-07T18:03:35.000+0100},
title = {Localized excitons and breaking of chemical bonds at III-V (110) surfaces},
volume = 75,
year = 1995
}