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Multiferroic Decorated Fe2O3 Monolayer Predicted from First Principles


Two-dimensional (2D) multiferroics exhibit cross-control capacity between magnetic and electric responses in reduced spatial domain, making them well suited for next-generation nanoscale devices; however, progress has been slow in developing materials with required characteristic properties. Here we identify by first-principles calculations robust 2D multiferroic behaviors in decorated Fe2O3 monolayer, showcasing Li@Fe2O3 as a prototypical case, where ferroelectricity and ferromagnetism stem from the same origin, namely Fe d-orbit splitting induced by the Jahn-Teller distortion and associated crystal field changes. These findings establish strong materials phenomena and elucidate underlying physics mechanism in a family of truly 2D multiferroics that are highly promising for advanced device applications.

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Article information

01 May 2020
16 Jun 2020
First published
17 Jun 2020

Nanoscale, 2020, Accepted Manuscript
Article type

Multiferroic Decorated Fe2O3 Monolayer Predicted from First Principles

J. Shang, C. Li, X. Tang, A. Du, T. Liao, Y. Gu, Y. Ma, L. Kou and C. Chen, Nanoscale, 2020, Accepted Manuscript , DOI: 10.1039/D0NR03391J

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