Point defects on III-V semiconductor surfaces
  The basic properties of point defects (atomic geometry, the position of charge-transfer levels, and formation energies) on the (110) surface of GaAs, GaP, and InP have been calculated employing density-functional theory. Based on these results we discuss the electronic properties of surface defects, defect segregation, and compensation. 
G. Schwarz, J. Neugebauer, and M. Scheffler