Spinel LiGa5O8 prospects as ultra-wideband-gap semiconductor: Band structure, optical properties, and doping

IF 2.4 3区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS Journal of Vacuum Science & Technology A Pub Date : 2024-02-13 DOI:10.1116/6.0003117
Walter R. L. Lambrecht
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Abstract

LiGa5O8 in the spinel type structure is investigated as a potential ultra-wideband-gap semiconductor. The band structure is determined using the quasiparticle self-consistent GW method, and the optical properties are calculated at the Bethe Salpeter Equation level including electron-hole interaction effects. The optical gap including exciton effects and an estimate of the zero-point motion electron phonon coupling renormalizations is estimated to be about 5.2±0.1 eV with an exciton binding energy of about 0.4 eV. Si doping as potential n-type dopant is investigated and found to be a promising shallow donor.
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尖晶石 LiGa5O8 作为超宽带隙半导体的前景:带状结构、光学特性和掺杂
研究将尖晶石型结构的 LiGa5O8 作为一种潜在的超宽带隙半导体。利用准粒子自洽 GW 方法确定了带状结构,并在 Bethe Salpeter 方程水平上计算了包括电子-空穴相互作用效应在内的光学特性。包括激子效应和零点运动电子声子耦合重正化的光隙估计约为 5.2±0.1 eV,激子结合能约为 0.4 eV。研究发现,掺入硅作为潜在的 n 型掺杂剂是一种很有前途的浅供体。
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来源期刊
Journal of Vacuum Science & Technology A
Journal of Vacuum Science & Technology A 工程技术-材料科学:膜
CiteScore
5.10
自引率
10.30%
发文量
247
审稿时长
2.1 months
期刊介绍: Journal of Vacuum Science & Technology A publishes reports of original research, letters, and review articles that focus on fundamental scientific understanding of interfaces, surfaces, plasmas and thin films and on using this understanding to advance the state-of-the-art in various technological applications.
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