Boron doping in gallium oxide from first principles

Jouko Lehtomäki*, Jingrui Li, Patrick Rinke

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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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 languageEnglish
Article number125001
Pages (from-to)1-11
Number of pages11
JournalJournal of Physics Communications
Volume4
Issue number12
DOIs
Publication statusPublished - Dec 2020
MoE publication typeA1 Journal article-refereed

Keywords

  • Boron
  • Defect
  • Density functional theory
  • Gallium oxide
  • Hybrid functional
  • Neutron detection

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