Boron doping in gallium oxide from first principles

Lehtomäki, Jouko; Li, Jingrui; Rinke, Patrick

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Boron doping in gallium oxide from first principles

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Title:	Boron doping in gallium oxide from first principles
Author(s):	Lehtomäki, Jouko ; Li, Jingrui ; Rinke, Patrick
Date:	2020-12
Language:	en
Pages:	11 1-11
Department:	Department of Applied Physics Computational Electronic Structure Theory
Series:	Journal of Physics Communications, Volume 4, issue 12
ISSN:	2399-6528
DOI-number:	10.1088/2399-6528/abcd74
Keywords:	Boron, Defect, Density functional theory, Gallium oxide, Hybrid functional, Neutron detection
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Citation: Lehtomäki , J , Li , J & Rinke , P 2020 , ' Boron doping in gallium oxide from first principles ' , Journal of Physics Communications , vol. 4 , no. 12 , 125001 , pp. 1-11 . https://doi.org/10.1088/2399-6528/abcd74
Abstract: We study the feasibility of boron doping in gallium oxide (Ga2O3) for neutron detection. Ga2O3 is a wide band gap, radiation-hard material with potential for neutron detection, if it can be doped with a neutron active element. We investigate the boron-10 isotope as possible neutron active dopant. Intrinsic and boron induced defects in Ga2O3 are studied with semi-local and hybrid density-functional-theory calculations. We find that it is possible to introduce boron into gallium sites at moderate concentrations. High concentrations of boron, however, compete with the boron-oxide formation.

Permanent link to this item: http://urn.fi/URN:NBN:fi:aalto-2020123160322 Email this Export to RefWorks QR Code Print BibTex Tweet