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| Format: | Preprint |
| Published: |
2023
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| Online Access: | https://arxiv.org/abs/2312.08486 |
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| _version_ | 1866914641490214912 |
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| author | Lambrecht, Walter R. L. |
| author_facet | Lambrecht, Walter R. L. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2312_08486 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Spinel LiGa$_5$O$_8$ prospects as ultra-wideband-gap semiconductor: band structure, optical properties and doping Lambrecht, Walter R. L. Materials Science 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. |
| title | Spinel LiGa$_5$O$_8$ prospects as ultra-wideband-gap semiconductor: band structure, optical properties and doping |
| topic | Materials Science |
| url | https://arxiv.org/abs/2312.08486 |