Effect of vacancy-type oxygen deficiency on electronic structure in amorphous alumina

Abstract

Electronic and atomic structures associated with a vacancy-type oxygen deficiency in an amorphous alumina model are studied by first-principles calculations. The energy levels of the oxygen defects significantly shift depending on their charge states because of remarkable changes of local atomic structures. That is different in character from the α crystal case. We discuss a possibility of the oxygen defects as a conductive path and present an atomistic mechanism of the resistive switching effects in the memory devices.