A theoretical investigation was made of the effects of extended defects upon the structural and electronic properties of dopant atoms. It was observed that Si impurities segregated at stacking faults. It was noted that a Si atom at a Ga site in a stacking fault, in either the neutral or negatively charged state, was energetically favoured (by as much as 0.2eV) when compared with a Si atom at a Ga site in a crystalline environment. A substitutional Si impurity in the negative charge state in a stacking fault had a distinct structure, as compared with the same impurity in a crystal. The results suggested that a stacking fault could prevent the formation of metastable defects such as DX centres.

The Effect of a Stacking Fault on the Electronic Properties of Dopants in Gallium Arsenide. T.M.Schmidt, J.F.Justo, A.Fazzio: Journal of Physics - Condensed Matter, 2000, 12[49], 10235-9