{"title":"Spinel LiGa5O8 prospects as ultra-wideband-gap semiconductor: Band structure, optical properties, and doping","authors":"Walter R. L. Lambrecht","doi":"10.1116/6.0003117","DOIUrl":null,"url":null,"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.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Vacuum Science & Technology A","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1116/6.0003117","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, COATINGS & FILMS","Score":null,"Total":0}
引用次数: 0
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.
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.