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Charge Transfer Gap Tuning via Structural Distortionnin Monolayer 1T-NbSe2 基于结构畸变的单分子膜电荷转移隙调谐1T-NbSe&lt；sub>2</sub&gt；

Figshare Pub Date : 2021-08-05 DOI: 10.1021/acs.nanolett.1c02348.s001

Zhen-Yu Liu (4594210), Shuang Qiao (2982630), Bing Huang (94373), Qiao-Yin Tang (10309984), Zi-Heng Ling (11236457), Wen-Hao Zhang (400218), Hui-Nan Xia (10309987), Xin Liao (470983), Hu Shi (1755076), Wen-Hao Mao (11236460), Gui-Lin Zhu (6843326), Jing-Tao Lü (1454536), Ying-Shuang Fu (1954696)

{"title":"Charge Transfer Gap Tuning via Structural Distortionnin Monolayer 1T-NbSe2","authors":"Zhen-Yu Liu (4594210), Shuang Qiao (2982630), Bing Huang (94373), Qiao-Yin Tang (10309984), Zi-Heng Ling (11236457), Wen-Hao Zhang (400218), Hui-Nan Xia (10309987), Xin Liao (470983), Hu Shi (1755076), Wen-Hao Mao (11236460), Gui-Lin Zhu (6843326), Jing-Tao Lü (1454536), Ying-Shuang Fu (1954696)","doi":"10.1021/acs.nanolett.1c02348.s001","DOIUrl":"https://doi.org/10.1021/acs.nanolett.1c02348.s001","url":null,"abstract":"The Mott state in 1T-TaS2 is predicted to host quantumnspin liquids (QSLs). However, its insulating mechanism is controversialndue to complications from interlayer coupling. Here, we study thencharge transfer state in monolayer 1T-NbSe2, an electronicnanalogue to TaS2 exempt from interlayer coupling, usingnspectroscopic imaging scanning tunneling microscopy and first-principlesncalculations. Monolayer NbSe2 surprisingly displays twontypes of star of David (SD) motifs with different charge transferngap sizes, which are interconvertible via temperature variation. Innaddition, bilayer 1T-NbSe2 shows a Mott collapse by interlayerncoupling. Our calculation unveils that the two types of SDs possessndistinct structural distortions, altering the effective Coulomb energiesnof the central Nb orbital. Our calculation suggests that the chargentransfer gap, the same parameter for determining the QSL regime, isntunable with strain. This finding offers a general strategy for manipulatingnthe charge transfer state in related systems, which may be tuned intonthe potential QSL regime.","PeriodicalId":522561,"journal":{"name":"Figshare","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://figshare.com/articles/journal_contribution/Charge_Transfer_Gap_Tuning_via_Structural_Distortion_in_Monolayer_1T-NbSe_sub_2_sub_/15112844","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147899371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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