Abstract
The equilibrium surface geometry of GaAs(110) is determined by using the total energy and force methods, within the pseudopotential and local-density schemes. The results, which are in agreement with recent LEED and medium-energy ion-scattering studies, suggest that the surface reconstructs with a top layer tilt angle of 31° ± 1° and lateral shifts of up to 0.53 and 0.33 Å for Ga and As, respectively. Calculated surface state energies for the equilibrium geometry are in agreement with photoemission data.
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