The structure and electronic properties of reconstructed cores of 90° partial dislocations in GaAs were studied using first-principles methods. It was found that a double-period reconstruction was most stable for an As-core whereas a single-period reconstruction was most stable for a Ga-core. It was shown that As and Ga dimers induce detrimental deep electronic states. These deep levels could be partially removed by introducing passivating dopants that break dimers in the dislocation core.

Passivation of Deep Electronic States of Partial Dislocations in GaAs - a Theoretical Study. L.Zhang, W.E.McMahon, S.H.Wei: Applied Physics Letters, 2010, 96[12], 121912