Self-passivation of vacancies in \alpha-PbO

TL;DR

This paper proposes a self-passivation mechanism for vacancies in lpha-PbO involving Pb-O vacancy pairs, which minimizes electronic defect effects and could enhance transport properties.

Contribution

It introduces a novel vacancy self-passivation process in lpha-PbO through Pb-O vacancy pair formation, reducing defect impact on electronic properties.

Findings

Pb-O vacancy pairs form via ionization interactions.

Vacancy pairing minimizes dangling bonds and electronic defect effects.

Self-passivation can improve transport properties in PbO layers.

Abstract

We introduce a self-passivation of single lead (Pb) and oxygen (O) vacancies in the \alpha-PbO compound through formation of a Pb-O vacancy pair. The preferential mechanism for pair formation involves initial development of the single Pb vacancy which, by weakening the covalent bonding, sets up the crystal lattice for an appearance of the O vacancy. Binding of the Pb and O vacancies occurs through the ionization interactions. Since no dangling bonds appear at the Pb-O pair site, this defect has a minor effect on the electronic properties. In such, vacancy self-passivation offers a practical way to improve the transport properties in thermally grown PbO layers.