Atomic structure and passivated nature of the Se-treated GaAs(111)B surface

Abstract

We have systematically studied the atomic structure and electronic properties of the Se-treated GaAs(111)B surface using scanning tunneling microscopy, reflection high-energy electron diffraction, x-ray photoelectron spectroscopy, and first-principles calculations. We have found that Se atoms substitute \frac{3}{4} 3 4 monolayer of As atoms at the outermost layer of the ideal (111)B surface. Charge transfer from Se to As eliminates all of unsaturated dangling bonds, so that the surface is electronically stabilized, leaving no surface states in the mid-gap region.