ATOMISTIC COMPUTER-SIMULATIONS OF YTTRIUM-IRON-GARNET (YIG) AS AN APPROACH TO MATERIALS DEFECT CHEMISTRY .1. INTRINSIC DEFECTS

Abstract

In this paper we report results of atomistic simulation studies of the formation of intrinsic defect structures in YIG. Using calculated defect formation energies we obtain energies for defect reactions, from which we determine the most favourable defect processes in yttrium iron garnet. Finally, we comment on some electronic properties of YIG crystals.