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arxiv: 1902.02681 · v1 · submitted 2019-02-07 · ❄️ cond-mat.mtrl-sci

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

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classification ❄️ cond-mat.mtrl-sci
keywords calculationsga2o3near-edgeabsorptiondeep-uvemissionfirst-principlesoptical
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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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