Boron doping in gallium oxide from first principles

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.