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arXiv · 2009.09212

Enhanced Ferromagnetism of CrI3 Bilayer by Self-Intercalation

Yu Guo·Nanshu Liu·Yanyan Zhao·Xue Jiang·Si Zhou·Jijun Zhao
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Abstract

Two-dimensional (2D) ferromagnets with high Curie temperature have long been the pursuit for electronic and spintronic applications. CrI3 is a rising star of intrinsic 2D ferromagnets, however, it suffers from weak exchange coupling. Here we propose a general strategy of self-intercalation to achieve enhanced ferromagnetism in bilayer CrI3. We showed that filling either Cr or I atoms into the van der Waals gap of stacked and twisted CrI3 bilayers can induce the double exchange effect and significantly strengthen the interlayer ferromagnetic coupling. According to our first-principles calculations, the intercalated native atoms act as covalent bridge between two CrI3 layers and lead to discrepant oxidation states for the Cr atoms. These theoretical results offer a facile route to achieve high-Curie-temperature 2D magnets for device implementation.

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Yu Guo, Nanshu Liu, Yanyan Zhao, Xue Jiang, Si Zhou, Jijun Zhao. 2020-09-19. Enhanced Ferromagnetism of CrI3 Bilayer by Self-Intercalation. https://doi.org/10.1088/0256-307x%2F37%2F10%2F107506

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