Please use this identifier to cite or link to this item: https://doi.org/10.1021/acs.jpclett.0c02944
Title: Spin-Dependent Tunneling Barriers in CoPc/VSe2 from Many-Body Interactions
Authors: Xu, Runrun
Xuan, Fengyuan 
Quek, Su Ying 
Keywords: Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Nanoscience & Nanotechnology
Materials Science, Multidisciplinary
Physics, Atomic, Molecular & Chemical
Chemistry
Science & Technology - Other Topics
Materials Science
Physics
Issue Date: 5-Nov-2020
Publisher: AMER CHEMICAL SOC
Citation: Xu, 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
Abstract: Mixed-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.
Source Title: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
URI: https://scholarbank.nus.edu.sg/handle/10635/194650
ISSN: 19487185
DOI: 10.1021/acs.jpclett.0c02944
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