{"title":"二维BA2PbI4/InSe钙钛矿异质结构和超晶格中的能带结构工程","authors":"Yujia Gao, Tengcheng Huang, Zhuxia Wu, Tingting Shi, Weiguang Xie","doi":"10.1063/5.0245038","DOIUrl":null,"url":null,"abstract":"Periodic stacking of two van der Waals materials enables the realization of superlattice structures with artificial design of band structure. Two-dimensional perovskites offer structural flexibility for engineering of band structure that can result in superlattice structures. Here, InSe/BA2PbI4 perovskite heterostructure and superlattice are explored by first principles calculation. Both the heterostructure and superlattice show a similar direct bandgap structure. As the concentration of VBA defects increases, the bandgap of the heterostructure and superlattices generally increase in different manners due to different interfacial interaction. The introduction of VI defects leads to the formation of a type-I band alignment, contrasting with the type-II band alignment resulting from VBA defects. These findings offer valuable insights into the defect-driven modulation of electronic properties in semiconductor superlattices and heterostructures, providing opportunities to tailor them for various optoelectronic applications.","PeriodicalId":8094,"journal":{"name":"Applied Physics Letters","volume":"105 1","pages":""},"PeriodicalIF":3.5000,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Band structure engineering in 2D BA2PbI4/InSe perovskite heterostructures and superlattices\",\"authors\":\"Yujia Gao, Tengcheng Huang, Zhuxia Wu, Tingting Shi, Weiguang Xie\",\"doi\":\"10.1063/5.0245038\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Periodic stacking of two van der Waals materials enables the realization of superlattice structures with artificial design of band structure. Two-dimensional perovskites offer structural flexibility for engineering of band structure that can result in superlattice structures. Here, InSe/BA2PbI4 perovskite heterostructure and superlattice are explored by first principles calculation. Both the heterostructure and superlattice show a similar direct bandgap structure. As the concentration of VBA defects increases, the bandgap of the heterostructure and superlattices generally increase in different manners due to different interfacial interaction. The introduction of VI defects leads to the formation of a type-I band alignment, contrasting with the type-II band alignment resulting from VBA defects. These findings offer valuable insights into the defect-driven modulation of electronic properties in semiconductor superlattices and heterostructures, providing opportunities to tailor them for various optoelectronic applications.\",\"PeriodicalId\":8094,\"journal\":{\"name\":\"Applied Physics Letters\",\"volume\":\"105 1\",\"pages\":\"\"},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2025-01-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Applied Physics Letters\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1063/5.0245038\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"PHYSICS, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Physics Letters","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1063/5.0245038","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, APPLIED","Score":null,"Total":0}
Band structure engineering in 2D BA2PbI4/InSe perovskite heterostructures and superlattices
Periodic stacking of two van der Waals materials enables the realization of superlattice structures with artificial design of band structure. Two-dimensional perovskites offer structural flexibility for engineering of band structure that can result in superlattice structures. Here, InSe/BA2PbI4 perovskite heterostructure and superlattice are explored by first principles calculation. Both the heterostructure and superlattice show a similar direct bandgap structure. As the concentration of VBA defects increases, the bandgap of the heterostructure and superlattices generally increase in different manners due to different interfacial interaction. The introduction of VI defects leads to the formation of a type-I band alignment, contrasting with the type-II band alignment resulting from VBA defects. These findings offer valuable insights into the defect-driven modulation of electronic properties in semiconductor superlattices and heterostructures, providing opportunities to tailor them for various optoelectronic applications.
期刊介绍:
Applied Physics Letters (APL) features concise, up-to-date reports on significant new findings in applied physics. Emphasizing rapid dissemination of key data and new physical insights, APL offers prompt publication of new experimental and theoretical papers reporting applications of physics phenomena to all branches of science, engineering, and modern technology.
In addition to regular articles, the journal also publishes invited Fast Track, Perspectives, and in-depth Editorials which report on cutting-edge areas in applied physics.
APL Perspectives are forward-looking invited letters which highlight recent developments or discoveries. Emphasis is placed on very recent developments, potentially disruptive technologies, open questions and possible solutions. They also include a mini-roadmap detailing where the community should direct efforts in order for the phenomena to be viable for application and the challenges associated with meeting that performance threshold. Perspectives are characterized by personal viewpoints and opinions of recognized experts in the field.
Fast Track articles are invited original research articles that report results that are particularly novel and important or provide a significant advancement in an emerging field. Because of the urgency and scientific importance of the work, the peer review process is accelerated. If, during the review process, it becomes apparent that the paper does not meet the Fast Track criterion, it is returned to a normal track.