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arXiv · 1910.07371

Boron doping in gallium oxide from first principles

Jouko Lehtomäki·Jingrui Li·Patrick Rinke
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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.

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Jouko Lehtomäki, Jingrui Li, Patrick Rinke. 2019-10-16. Boron doping in gallium oxide from first principles. https://arxiv.org/abs/1910.07371

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