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Multiferroic decorated FeO monolayer predicted from first principles.

作者信息

Shang Jing, Li Chun, Tang Xiao, Du Aijun, Liao Ting, Gu Yuantong, Ma Yandong, Kou Liangzhi, Chen Changfeng

机构信息

School of Mechanical, Medical and Process Engineering, Queensland University of Technology, Brisbane, QLD 4001, Australia.

School of Mechanics, Civil Engineering and Architecture, Northwestern Polytechnical University, Xi'an 710072, China and Department of Mechanical Engineering, University of Manitoba, Winnipeg MB R3T 5V6, Canada.

出版信息

Nanoscale. 2020 Jul 16;12(27):14847-14852. doi: 10.1039/d0nr03391j.

DOI:10.1039/d0nr03391j
PMID:32633742
Abstract

Two-dimensional (2D) multiferroics exhibit cross-control capacity between magnetic and electric responses in a 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 monolayers, showcasing Li@Fe2O3 as a prototypical case, where ferroelectricity and ferromagnetism stem from the same origin, namely Fe d-orbital splitting induced by the Jahn-Teller distortion and associated crystal field changes. These findings establish strong material phenomena and elucidate the underlying physics mechanism in a family of truly 2D multiferroics that are highly promising for advanced device applications.

摘要

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