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arXiv · 1902.02681

First-Principles Calculations of the Near-Edge Optical Properties of \b{eta}-Ga2O3

Kelsey A. Mengle·Guangsha Shi·Dylan Bayerl·Emmanouil Kioupakis
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Abstract

We use first-principles calculations based on many-body perturbation theory to investigate the near-edge electronic and optical properties of \b{eta}-Ga2O3. The fundamental band gap is indirect, but the minimum direct gap is only 29 meV higher in energy, which explains the strong near-edge absorption. Our calculations verify the anisotropy of the absorption onset and explain the range (4.4-5.0 eV) of experimentally reported band-gap values. Our results for the radiative recombination rate indicate that intrinsic light emission in the deep-UV range is possible in this indirect-gap semiconductor at high excitation. Our work demonstrates the applicability of \b{eta}-Ga2O3 for deep-UV detection and emission.

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Kelsey A. Mengle, Guangsha Shi, Dylan Bayerl, Emmanouil Kioupakis. 2019-02-07. First-Principles Calculations of the Near-Edge Optical Properties of \b{eta}-Ga2O3. https://doi.org/10.1063/1.4968822

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