Early stage donor-vacancy clusters in germanium
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There is considerable experimental evidence that vacancies in Ge dominate several solid state reactions that range from self-diffusivity to metal and dopant transport. It is therefore vital that we fully understand how vacancies interact with other point defects in Ge. Here we have a look at the properties of small donor-vacancy (Sb n V m with m,n ≤ 2) complexes in Ge by ab-initio density functional modeling. Particular attention has been payed to binding energies and to the electronic activity of the complexes. We found that all aggregates may contribute to the n→ p type conversion that is typically observed under prolonged MeV irradiation conditions. In general, Sb n V m defects are double acceptors. It is also suggested that spontaneous formation of Sb3V complexes may limit the activation level of donors introduced by ion implantation.
KeywordsFormation Energy Donor Level Deep Level Transient Spectroscopy Ground State Structure Single Vacancy
The authors would like to acknowledge INTAS (grant No. 03–50–4529), and the FCT in Portugal for financial support. We also thank the Swedish National Infrastructure for Computing (SNIC) under the Swedish Science Council for computer resources.
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