Identification of defects in semiconductors via their electric field gradients

Abstract

Recent theoretical calculations show for defect complexes in semiconductors, characterized by electric field gradients (EFG), that their chemical compositions, electronic charge states and the induced lattice relaxations can be obtained by comparing the experimental and calculated EFG. The experimental data are obtained by perturbed γγ angular correlation experiments and the calculations are performed using ab initio full potential methods in the framework of density functional theory.