Boron doping in gallium oxide from first principles

TL;DR

This study uses first-principles calculations to evaluate the potential of boron doping in gallium oxide for neutron detection, focusing on defect formation and doping feasibility.

Contribution

It provides a theoretical assessment of boron doping in Ga2O3, demonstrating the likelihood of boron substitutional defects under certain growth conditions.

Findings

Boron substitutional defects are likely to form in Ga2O3.

Boron doping in Ga2O3 is feasible under favorable growth conditions.

Boron can potentially enable neutron detection in Ga2O3.

Abstract

We study the feasibility of boron doping in gallium oxide ($\text{Ga}_2\text{O}_3$) for neutron detection. $\text{Ga}_2\text{O}_3$ is a wide band-gap, radiation hard material which has potential for neutron detection if it can be doped with a neutron active element. We investigate the boron-10 isotope as a possible neutron active dopant. Intrinsic and boron induced defects in $\text{Ga}_2\text{O}_3$ are studied with semi-local and hybrid density-functional-theory calculations. We find that in growth conditions favourable for boron, boron substitutional defects are likely to form making boron doping of $\text{Ga}_2\text{O}_3$ feasible.