{"title":"InSe/WTe2范德华异质结构层间扭角相关的电子结构和光学性质","authors":"S. Chowdhury, P. Venkateswaran, D. Somvanshi","doi":"10.1109/EDKCON56221.2022.10032930","DOIUrl":null,"url":null,"abstract":"In this paper, we have studied the interlayer twist angle-dependent electronic structure and optical properties of InSe/WTe2 van der Waals (vdW) heterostructure by density functional theory (DFT)-PBE calculations. The variation of electronic band structure and optical spectra of InSe/WTe2 vdW heterostructure at various interlayer twist angles i.e. 0°, 13.90°, 19.11°, and 30° have been studied in detail. It is observed that InSe/WTe2 heterostructure has an indirect bandgap of 0.22 eV with type-II band alignment at a 0° angle. The band alignment transitions remain type II under all twist angles. However, the bandgap type changes from indirect to direct bandgap for different twisted angles. Among all the twisted angles, 30° has the smallest no of atoms and lattice mismatch with the highest absorption in the visible region for various optoelectronic applications.","PeriodicalId":296883,"journal":{"name":"2022 IEEE International Conference of Electron Devices Society Kolkata Chapter (EDKCON)","volume":"8 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Interlayer twist angle-dependent electronic structure and optical properties of InSe/WTe2 van der Waals heterostructure\",\"authors\":\"S. Chowdhury, P. Venkateswaran, D. Somvanshi\",\"doi\":\"10.1109/EDKCON56221.2022.10032930\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this paper, we have studied the interlayer twist angle-dependent electronic structure and optical properties of InSe/WTe2 van der Waals (vdW) heterostructure by density functional theory (DFT)-PBE calculations. The variation of electronic band structure and optical spectra of InSe/WTe2 vdW heterostructure at various interlayer twist angles i.e. 0°, 13.90°, 19.11°, and 30° have been studied in detail. It is observed that InSe/WTe2 heterostructure has an indirect bandgap of 0.22 eV with type-II band alignment at a 0° angle. The band alignment transitions remain type II under all twist angles. However, the bandgap type changes from indirect to direct bandgap for different twisted angles. Among all the twisted angles, 30° has the smallest no of atoms and lattice mismatch with the highest absorption in the visible region for various optoelectronic applications.\",\"PeriodicalId\":296883,\"journal\":{\"name\":\"2022 IEEE International Conference of Electron Devices Society Kolkata Chapter (EDKCON)\",\"volume\":\"8 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-11-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2022 IEEE International Conference of Electron Devices Society Kolkata Chapter (EDKCON)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/EDKCON56221.2022.10032930\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2022 IEEE International Conference of Electron Devices Society Kolkata Chapter (EDKCON)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/EDKCON56221.2022.10032930","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Interlayer twist angle-dependent electronic structure and optical properties of InSe/WTe2 van der Waals heterostructure
In this paper, we have studied the interlayer twist angle-dependent electronic structure and optical properties of InSe/WTe2 van der Waals (vdW) heterostructure by density functional theory (DFT)-PBE calculations. The variation of electronic band structure and optical spectra of InSe/WTe2 vdW heterostructure at various interlayer twist angles i.e. 0°, 13.90°, 19.11°, and 30° have been studied in detail. It is observed that InSe/WTe2 heterostructure has an indirect bandgap of 0.22 eV with type-II band alignment at a 0° angle. The band alignment transitions remain type II under all twist angles. However, the bandgap type changes from indirect to direct bandgap for different twisted angles. Among all the twisted angles, 30° has the smallest no of atoms and lattice mismatch with the highest absorption in the visible region for various optoelectronic applications.
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