Breakdown of cation vacancies into anion vacancy-antisite complexes on III-V semiconductor surfaces

Abstract

An asymmetric defect complex originating from the cation vacancy on (110) III-V semiconductor surfaces which has significantly lower formation energy than the ideal cation vacancy is presented. The complex is formed by an anion from the top layer moving into the vacancy, leaving an anion antisite--anion vacancy defect complex. By calculating the migration barrier, it is found that any ideal cation vacancies will spontaneously transform to this defect complex at room temperature. For stoichiometric semiconductors the defect formation energy of the complex is close to that of the often-observed anion vacancy, giving thermodynamic equilibrium defect concentrations on the same order. The calculated scanning tunneling microscopy (STM) plot of the defect complex is also shown to be asymmetric in the $[1\overline{1}0]$ direction, in contrast to the symmetric one of the anion vacancy. This might therefore explain the two distinct asymmetric and symmetric vacancy structures observed experimentally by STM.