Electronic structure simulations were used to predict the structures and relative energies of clusters formed between isovalent impurities and lattice vacancies in Ge and for comparison in Si. The structures and relative energies of a series of different C-vacancy complexes in Ge were considered. The technique was also used to predict the effect of C atoms on the binding of tin-vacancy pairs in Ge. For Ge and Si different configurations containing C, Sn and vacancies were stable. The calculations highlight important differences in the stability of clusters in Ge compared to Si.
Isovalent Impurity-Vacancy Complexes in Germanium. A.Chroneos: Physica Status Solidi B, 2007, 244[9], 3206-10