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arXiv · 2203.06593

Controllable optical and magneto-optical properties of magnetic CrI3 nanoribbons

Hong Tang·Santosh Neupane·Qimin Yan·Adrienn Ruzsinszky
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Abstract

A monolayer of CrI3 has an amazing ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI3 nanoribbons with density functional theory. The edge iodine atoms form flat low-lying conduction bands and couple with chromium atoms ferromagnetically, while the non-edge iodine atoms weakly couple antiferromagnetically. CrI3 nanoribbons have a nearly equal preference for the out-of-plane and in-plane magnetic moment configurations, slightly favoring the in-plane one. We also calculate optical absorption with many-body perturbation GW-BSE (Bethe-Salpeter equation) and investigate magneto-optical properties, including magnetic dichroism, Faraday and magneto-optical Kerr effects. The low-energy dark excitons are mainly from transitions between electrons and holes with unlike spins and are non-Frenkel-like, while the bright excitons have mixed spin configurations. Tensile strains and bending manifestly modulate the absorption spectra and magneto-optical properties of CrI3 nanoribbons within a technologically important photon energy-range of ~1.0-2.0 eV, suggesting a potential application in tunable magnetic optoelectronics.

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Hong Tang, Santosh Neupane, Qimin Yan, Adrienn Ruzsinszky. 2022-03-13. Controllable optical and magneto-optical properties of magnetic CrI3 nanoribbons. https://arxiv.org/abs/2203.06593

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