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Intercalation-Driven Reversible Switching of 2D Magnetism

Kabiraj, A and Mahapatra, S (2020) Intercalation-Driven Reversible Switching of 2D Magnetism. In: Journal of Physical Chemistry C, 124 (1). pp. 1146-1157.

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Official URL: https://doi.org/10.1021/acs.jpcc.9b09477


The recent discovery of magnetism in atomically thin chromium triiodide has initiated the quest for two-dimensional magnetic materials. In an alternate route, here we explore the reversible switching of magnetism in naturally antiferromagnetic monolayer ferrous dioxide. Our high-throughput spin-polarized density functional theory calculations reveal antiferromagnetic to ferrimagnetic switching through the manipulation of the local magnetic moments mediated by lithium and magnesium ion intercalation. Hardware-accelerator-assisted rigorous ab initio computations involving structure searching, molecular dynamics, adaptive kinetic Monte Carlo, and hybrid functionals ensure sustainability of such switching amid randomness, structural deformation, thermal vibrations, and environmental conditions. The proposed technique along with conventional lithography may be used to create selective magnetic zones in a macroscopically nonmagnetic material for spintronics and memory devices.

Item Type: Journal Article
Publication: Journal of Physical Chemistry C
Publisher: American Chemical Society
Additional Information: The copyright for this article belongs to American Chemical Society.
Keywords: Calculations; Chromium compounds; Density functional theory; Iron compounds; Magnetic moments; Metal ions; Molecular dynamics; Switching; Vibrations (mechanical), Alternate routes; Density-functional theory calculations; Ferrimagnetics; High-throughput; Lithium ions; Local magnetic moments; Magnesium ions; Reversible switching; Spin-polarized density-functional theories; Two-dimensional, Antiferromagnetism
Department/Centre: Division of Electrical Sciences > Electronic Systems Engineering (Formerly Centre for Electronic Design & Technology)
Date Deposited: 06 Feb 2023 10:14
Last Modified: 06 Feb 2023 10:14
URI: https://eprints.iisc.ac.in/id/eprint/79936

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