Please use this identifier to cite or link to this item: https://doi.org/10.1021/acs.jpclett.0c02944
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dc.titleSpin-Dependent Tunneling Barriers in CoPc/VSe2 from Many-Body Interactions
dc.contributor.authorXu, Runrun
dc.contributor.authorXuan, Fengyuan
dc.contributor.authorQuek, Su Ying
dc.date.accessioned2021-07-21T08:33:17Z
dc.date.available2021-07-21T08:33:17Z
dc.date.issued2020-11-05
dc.identifier.citationXu, Runrun, Xuan, Fengyuan, Quek, Su Ying (2020-11-05). Spin-Dependent Tunneling Barriers in CoPc/VSe2 from Many-Body Interactions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 (21) : 9358-9363. ScholarBank@NUS Repository. https://doi.org/10.1021/acs.jpclett.0c02944
dc.identifier.issn19487185
dc.identifier.urihttps://scholarbank.nus.edu.sg/handle/10635/194650
dc.description.abstractMixed-dimensional magnetic heterostructures are intriguing, newly available platforms to explore quantum physics and its applications. Using state-of-The-Art many-body perturbation theory, we predict the energy level alignment for a self-Assembled monolayer of cobalt phthalocyanine (CoPc) molecules on magnetic VSe2 monolayers. The predicted projected density of states on CoPc agrees with experimental scanning tunneling spectra. Consistent with experiment, we predict a shoulder in the unoccupied region of the spectra that is absent from mean-field calculations. Unlike the nearly spin-degenerate gas-phase frontier molecular orbitals, the tunneling barriers at the interface are spin-dependent, a finding of interest for quantum information and spintronics applications. Both the experimentally observed shoulder and the predicted spin-dependent tunneling barriers originate from many-body interactions in the interface-hybridized states. Our results showcase the intricate many-body physics that governs the properties of these mixed-dimensional magnetic heterostructures and suggests the possibility of manipulating the spin-dependent tunneling barriers through modifications of interface coupling.
dc.language.isoen
dc.publisherAMER CHEMICAL SOC
dc.sourceElements
dc.subjectScience & Technology
dc.subjectPhysical Sciences
dc.subjectTechnology
dc.subjectChemistry, Physical
dc.subjectNanoscience & Nanotechnology
dc.subjectMaterials Science, Multidisciplinary
dc.subjectPhysics, Atomic, Molecular & Chemical
dc.subjectChemistry
dc.subjectScience & Technology - Other Topics
dc.subjectMaterials Science
dc.subjectPhysics
dc.typeArticle
dc.date.updated2021-07-20T03:09:28Z
dc.contributor.departmentCENTRE FOR ADVANCED 2D MATERIALS
dc.contributor.departmentDEPT OF PHYSICS
dc.description.doi10.1021/acs.jpclett.0c02944
dc.description.sourcetitleJOURNAL OF PHYSICAL CHEMISTRY LETTERS
dc.description.volume11
dc.description.issue21
dc.description.page9358-9363
dc.published.statePublished
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