%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 }