Boron doping in gallium oxide from first principles

Jouko Lehtomäki; Jingrui Li; Patrick Rinke

doi:10.1088/2399-6528/abcd74

Boron doping in gallium oxide from first principles

Jouko Lehtomäki, Jingrui Li, Patrick Rinke

Helsinki University of Technology

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

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.

Original language	English
Article number	125001
Pages (from-to)	1-11
Number of pages	11
Journal	Journal of Physics Communications
Volume	4
Issue number	12
DOIs	https://doi.org/10.1088/2399-6528/abcd74
State	Published - 2020
Externally published	Yes

Keywords

Boron
Defect
Density functional theory
Gallium oxide
Hybrid functional
Neutron detection

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10.1088/2399-6528/abcd74

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title = "Boron doping in gallium oxide from first principles",

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.",

keywords = "Boron, Defect, Density functional theory, Gallium oxide, Hybrid functional, Neutron detection",

author = "Jouko Lehtom{\"a}ki and Jingrui Li and Patrick Rinke",

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T1 - Boron doping in gallium oxide from first principles

AU - Lehtomäki, Jouko

AU - Li, Jingrui

AU - Rinke, Patrick

PY - 2020

Y1 - 2020

N2 - 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.

AB - 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.

KW - Boron

KW - Defect

KW - Density functional theory

KW - Gallium oxide

KW - Hybrid functional

KW - Neutron detection

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JO - Journal of Physics Communications

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ER -

Boron doping in gallium oxide from first principles

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