Computational study of electron paramagnetic resonance parameters for Mg and Zn impurities in β-Ga2O3

A computational study of electron paramagnetic resonance (EPR) g-tensors and hyperfine tensors in Mg- and Zn-doped β-Ga2O3 is presented. While Mg has been found previously to prefer the octahedral site, we find here that Zn prefers the tetrahedral substitutional site. The EPR signatures are found to...

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Bibliographic Details
Published in:Applied physics letters 2019-05, Vol.114 (20)
Main Authors: Skachkov, Dmitry, Lambrecht, Walter R. L.
Format: Article
Language:English
Subjects:
Applied physics
Computation
Electron paramagnetic resonance
Gallium oxides
Magnesium
Mathematical analysis
Tensors
Zinc
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Summary:A computational study of electron paramagnetic resonance (EPR) g-tensors and hyperfine tensors in Mg- and Zn-doped β-Ga2O3 is presented. While Mg has been found previously to prefer the octahedral site, we find here that Zn prefers the tetrahedral substitutional site. The EPR signatures are found to be distinct for the two sites. Good agreement with experiment is found for the g-tensor and the hyperfine interaction for MgGa2, and predictions are made for the Zn case.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.5099396