{"title":"通过实空间和能量空间调整实现典型二维过渡金属二钙化结的直接带隙","authors":"Mei-Yan Tian, Yu-Meng Gao, Yue-Jiao Zhang, Meng-Xue Ren, Xiao-Huan Lv, Ke-Xin Hou, Chen-Dong Jin, Hu Zhang, Ru-Qian Lian, Peng-Lai Gong, Rui-Ning Wang, Jiang-Long Wang, Xing-Qiang Shi","doi":"10.1038/s43246-024-00631-z","DOIUrl":null,"url":null,"abstract":"Most of the van der Waals homo- and hetero-junctions of group VIB two-dimensional (2D) transition-metal dichalcogenides (TMDs; MoS2, WS2, MoSe2, and WSe2) show indirect energy band gaps which hinders some of their applications especially in optoelectronics. In the current work, we demonstrate that most of the bilayers and even few-layers consisting of group VIB TMDs can have direct gaps by efficient weakening of their interlayer interactions via real and/or energy spaces tuning, which is based on insights from quantitative analyses of interlayer electronic hybridizations. Real space tuning here means introducing large-angle rotational misalignment between layers, which has been realized in a very recent experiment; and, energy space tuning means introducing energy mismatch between layers which can be introduced efficiently by different means thanks to the small vertical dielectric constant of 2D semiconducting TMDs. The efficient tuning in both real and energy spaces proposed here paves an avenue for indirect-direct gap regulation of homo- and hetero-junctions of TMDs and other 2D semiconductors. Notably, both tuning can be permanently preserved and hence our work is of great significance for the diverse applications of 2D semiconductors. Most van der Waals homo- and hetero-junctions of 2D transition-metal dichalcogenides of group VIB have indirect bandgaps. Here, the authors demonstrate a way of inducing direct gaps in these systems by tuning interlayer interactions via rotational misalignment or energy mismatch between layers.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":null,"pages":null},"PeriodicalIF":7.5000,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00631-z.pdf","citationCount":"0","resultStr":"{\"title\":\"Toward direct band gaps in typical 2D transition-metal dichalcogenides junctions via real and energy spaces tuning\",\"authors\":\"Mei-Yan Tian, Yu-Meng Gao, Yue-Jiao Zhang, Meng-Xue Ren, Xiao-Huan Lv, Ke-Xin Hou, Chen-Dong Jin, Hu Zhang, Ru-Qian Lian, Peng-Lai Gong, Rui-Ning Wang, Jiang-Long Wang, Xing-Qiang Shi\",\"doi\":\"10.1038/s43246-024-00631-z\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Most of the van der Waals homo- and hetero-junctions of group VIB two-dimensional (2D) transition-metal dichalcogenides (TMDs; MoS2, WS2, MoSe2, and WSe2) show indirect energy band gaps which hinders some of their applications especially in optoelectronics. In the current work, we demonstrate that most of the bilayers and even few-layers consisting of group VIB TMDs can have direct gaps by efficient weakening of their interlayer interactions via real and/or energy spaces tuning, which is based on insights from quantitative analyses of interlayer electronic hybridizations. Real space tuning here means introducing large-angle rotational misalignment between layers, which has been realized in a very recent experiment; and, energy space tuning means introducing energy mismatch between layers which can be introduced efficiently by different means thanks to the small vertical dielectric constant of 2D semiconducting TMDs. The efficient tuning in both real and energy spaces proposed here paves an avenue for indirect-direct gap regulation of homo- and hetero-junctions of TMDs and other 2D semiconductors. Notably, both tuning can be permanently preserved and hence our work is of great significance for the diverse applications of 2D semiconductors. Most van der Waals homo- and hetero-junctions of 2D transition-metal dichalcogenides of group VIB have indirect bandgaps. Here, the authors demonstrate a way of inducing direct gaps in these systems by tuning interlayer interactions via rotational misalignment or energy mismatch between layers.\",\"PeriodicalId\":10589,\"journal\":{\"name\":\"Communications Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":7.5000,\"publicationDate\":\"2024-09-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.nature.com/articles/s43246-024-00631-z.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Communications Materials\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.nature.com/articles/s43246-024-00631-z\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Communications Materials","FirstCategoryId":"1085","ListUrlMain":"https://www.nature.com/articles/s43246-024-00631-z","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Toward direct band gaps in typical 2D transition-metal dichalcogenides junctions via real and energy spaces tuning
Most of the van der Waals homo- and hetero-junctions of group VIB two-dimensional (2D) transition-metal dichalcogenides (TMDs; MoS2, WS2, MoSe2, and WSe2) show indirect energy band gaps which hinders some of their applications especially in optoelectronics. In the current work, we demonstrate that most of the bilayers and even few-layers consisting of group VIB TMDs can have direct gaps by efficient weakening of their interlayer interactions via real and/or energy spaces tuning, which is based on insights from quantitative analyses of interlayer electronic hybridizations. Real space tuning here means introducing large-angle rotational misalignment between layers, which has been realized in a very recent experiment; and, energy space tuning means introducing energy mismatch between layers which can be introduced efficiently by different means thanks to the small vertical dielectric constant of 2D semiconducting TMDs. The efficient tuning in both real and energy spaces proposed here paves an avenue for indirect-direct gap regulation of homo- and hetero-junctions of TMDs and other 2D semiconductors. Notably, both tuning can be permanently preserved and hence our work is of great significance for the diverse applications of 2D semiconductors. Most van der Waals homo- and hetero-junctions of 2D transition-metal dichalcogenides of group VIB have indirect bandgaps. Here, the authors demonstrate a way of inducing direct gaps in these systems by tuning interlayer interactions via rotational misalignment or energy mismatch between layers.
期刊介绍:
Communications Materials, a selective open access journal within Nature Portfolio, is dedicated to publishing top-tier research, reviews, and commentary across all facets of materials science. The journal showcases significant advancements in specialized research areas, encompassing both fundamental and applied studies. Serving as an open access option for materials sciences, Communications Materials applies less stringent criteria for impact and significance compared to Nature-branded journals, including Nature Communications.