Localized excitons and breaking of chemical bonds at III-V (110) surfaces

, and . Physical review letters 75 (4): 701 (1995)


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.

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