Intercalation-Driven Reversible Switching of 2D Magnetism
2019
Kabiraj, Arnab | Mahapatra, Santanu
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.
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