“…Many computational first-principles studies have addressed the electrical properties of these defects as well as their energetics including diffusion barriers [see, e.g., Pandey et al (1988), Ramamoorthy and Pantelides (1996), Xie and Chen (1999), Christoph Mueller, Alonso, and Fichtner (2003), and Vollenweider, Sahli, and Fichtner (2010)]. Vacancy-impurity complexes were observed quite early in positron annihilation experiments (Lawther et al, 1995) but their exact structure remained unknown. Coincidence Doppler broadening experiments combined with theoretical calculations provided the optimal method for identification of these defects.…”