Nitrogen-vacancy defects in germanium

While nitrogen doping has been investigated extensively in silicon, there is only limited information on its interaction with vacancies germanium, despite most point defect processes germanium being vacancy controlled. Thus, spin polarized density functional theory calculations are used to examine the association of lattice and for comparison silicon. The results demonstrate significant charge transfer from nearest neighbor Ge strong N–Ge bond formation. presence a change coordination (from tetrahedral trigonal planar) though total N maintained. A variety clusters considered, all which demonstrated binding energies. Substitutional remains an effective trap even if it already trapped one vacancy.