Engineering Individual Oxygen Vacancies: Domain-Wall Conductivity and Controllable Topological Solitons.

Abstract

Nanoscale devices that utilize oxygen vacancies in two-dimensional metal-oxide structures garner much attention due to conductive, magnetic, and even superconductive functionalities they exhibit. Ferroelectric domain walls have been a prominent recent example because they serve as a hub for topological defects and hence are attractive for next-generation data technologies. However, owing to the light weight of oxygen atoms and localized effects of their vacancies, the atomic-scale electrical and mechanical influence of individual oxygen vacancies has remained elusive. Here, stable individual oxygen vacancies were engineered <i>in situ</i> at domain walls of seminal titanate perovskite ferroics. The atomic-scale electric-field, charge, dipole-moment, and strain distribution around these vacancies were characterized by combining advanced transmission electron microscopy and first-principle methodologies. The engineered vacancies were used to form quasi-linear quadrupole topological defects. Significant intraband states were found in the unit cell of the engineered vacancies, proposing a meaningful domain-wall conductivity for miniaturized data-storage applications. Reduction of the Ti ion as well as enhanced charging and electric-field concentration were demonstrated near the vacancy. A 3-5% tensile strain was observed at the immediate surrounding unit cells of the vacancies. Engineering individual oxygen vacancies and topological solitons thus offers a platform for predetermining both atomic-scale and global functional properties of device miniaturization in metal oxides.