First-Principle Prediction on STM Tip Manipulation of Ti Adatom on Two-Dimensional Monolayer YBr₃

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dc.contributor.ORCID0000-0003-2698-7774 (Cho, K)
dc.contributor.VIAF369148996084659752200 (Cho, K)
dc.contributor.authorLiu, Pan
dc.contributor.authorWu, Maokun
dc.contributor.authorLiu, Hui
dc.contributor.authorLu, Feng
dc.contributor.authorWang, Wei-Hua
dc.contributor.authorCho, Kyeongjae
dc.contributor.utdAuthorCho, Kyeongjae
dc.date.accessioned2020-08-14T17:23:21Z
dc.date.available2020-08-14T17:23:21Z
dc.date.issued2019-02-04
dc.description.abstractScanning tunneling microscopy (STM) is an important tool in surface science on atomic scale characterization and manipulation. In this work, Ti adatom manipulation is theoretically simulated by using a tungsten tip (W-tip) in STM based on first-principle calculations. The results demonstrate the possibility of inserting Ti adatoms into the atomic pores of monolayer YBr₃, which is thermodynamically stable at room temperature. In this process, the energy barriers of vertical and lateral movements of Ti are 0.38eV and 0.64eV, respectively, and the Ti atoms are stably placed within YBr₃ by >1.2eV binding energy. These theoretical predictions provide an insight that it is experimentally promising to manipulate Ti adatom and form artificially designed 2D magnetic materials.
dc.description.departmentErik Jonsson School of Engineering and Computer Science
dc.description.sponsorshipNational Key Research and Development Program of China (grant number 2016YFB0901600); National Natural Science Foundation of China (grant numbers 11874223, 51871121, 51671108 and 51571123); National Research Foundation (NRF) of Korea by Creative Materials Discovery Program (2015M3D1A1068062).
dc.identifier.bibliographicCitationLiu, Pan, Maokun Wu, Hui Liu, Feng Lu, et al. 2019. "First-Principle Prediction on STM Tip Manipulation of Ti Adatom on Two-Dimensional Monolayer YBr₃." Scanning 2019: art.5434935, doi: 10.1155/2019/5434935
dc.identifier.issn0161-0457
dc.identifier.urihttp://dx.doi.org/10.1155/2019/5434935
dc.identifier.urihttps://hdl.handle.net/10735.1/8801
dc.language.isoen
dc.publisherWiley-Hindawi
dc.rightsCC BY 4.0 (Attribution)
dc.rights©2019 The Authors
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.source.journalScanning
dc.subjectSurface sciences (Chemistry)
dc.subjectMicroscopy
dc.subjectTitanium
dc.subjectYttrium bromide
dc.titleFirst-Principle Prediction on STM Tip Manipulation of Ti Adatom on Two-Dimensional Monolayer YBr₃
dc.type.genrearticle

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