On the average charge of the oxygen vacancy in perovskites necessary for kinetic calculations
/ Authors
/ Abstract
An analytical result has been obtained for the value of the dynamical charge necessary for calculations of oxygen vacancy kinetics in dielectric perovskite-type crystals. It is shown by using the Berry phase analysis that this charge equals the nominal charge of the vacancy: for example, for the double charged state, it is 2; a neutral vacancy has the zero charge.
Journal: arXiv: Materials Science