Primary defects in n-type irradiated germanium: A first-principles investigation

The properties of point defects introduced by low temperature electron irradiation of germanium are investigated by first-principles modeling. Close Frenkel pairs, including the metastable fourfold coordinated defect, are modelled and their stability is discussed. It is found that damage evolution upon annealing below room temperature can be consistently explained with the formation of correlated interstitial-vacancy pairs if the charge-dependent properties of the vacancy and self-interstitial are taken into account. We propose that Frenkel pairs can trap up to two electrons and are responsible for conductivity loss in n-type Ge at low temperatures.