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arXiv 2312.08486cond-mat.mtrl-sci
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尖晶石型LiGa$_5$O$_8$作为超宽带隙半导体的前景:能带结构、光学性质与掺杂

Spinel LiGa$_5$O$_8$ prospects as ultra-wideband-gap semiconductor: band structure, optical properties and doping

Walter R. L. Lambrecht

AI总结:

本文通过准粒子自洽GW方法和Bethe Salpeter方程研究尖晶石型LiGa$_5$O$_8$的能带结构与光学性质,确定其光学带隙约5.2 eV,并发现Si掺杂是有效的浅施主n型掺杂方案。

摘要:

本文研究了尖晶石型结构中的LiGa$_5$O$_8$作为一种潜在的超宽带隙半导体。能带结构采用准粒子自洽$GW$方法确定,光学性质在Bethe Salpeter方程层面计算,并计入电子-空穴相互作用效应。包含激子效应以及零点运动电子-声子耦合重整化估计的光学带隙约为5.2$\pm0.1$ eV,激子结合能约为0.4 eV。对Si掺杂作为潜在n型掺杂剂进行了研究,发现其是一种有前景的浅施主。

英文摘要:

LiGa$_5$O$_8$ in the spinel type structure is investigated as a potential ultra-wide-band-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$\pm0.1$ 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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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