Out-of-plane magnetic anisotropy engineered via band distortion in two-dimensional materials

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Abstract

We unveil the connection between magnetic anisotropy and band structures in Γ-specialized In2Se3/Fe3GeTe2 heterostructure, through first-principles calculations. A significant band distortion occurs near the Γ point with a formed valley. As the band-distortion-caused valley moves relative to the quasivalence band maximum, the magnetic anisotropy switches between in-plane and out-of-plane magnetic anisotropy. Such a rule applies to either the strained or polarization-switched In2Se3/Fe3GeTe2 heterostructure. These findings demonstrate the feasibility of predicting the magnetic anisotropy by band structure modification in two-dimensional magnetic systems.

Original languageEnglish
Article number054441
JournalPhysical Review B
Volume102
Issue number5
DOIs
StatePublished - Aug 1 2020

Funding

This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ). We thank G. D. Samolyuk for helpful discussions. This research was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory (ORNL), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.

FundersFunder number
CADES
Data Environment for Science
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Oak Ridge National LaboratoryDE-AC05-00OR22725
Division of Materials Sciences and Engineering

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