Fig. 5: Cation-anion rebonding undergone by \({{{{\rm{As}}}}}_{{{{\rm{Ga}}}}}^{-2}\) in GaAs.
From: Identifying the ground state structures of point defects in solids
On the left is the metastable Td structure identified by standard defect relaxation, and to the right the ground state Cs symmetry identified by our method. Ga in green and As in purple.
