Multiferroic Decorated Fe2O3 Monolayer Predicted from First Principles
Document Type
Article
Publication Date
6-17-2020
Publication Title
Nanoscale
Volume
12
First page number:
14847
Last page number:
14852
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.
Disciplines
Chemistry | Physical Sciences and Mathematics
Language
English
Repository Citation
Shang, J.,
Li, C.,
Tang, X.,
Du, A.,
Liao, T.,
Gu, Y.,
Ma, Y.,
Kou, L.,
Chen, C.
(2020).
Multiferroic Decorated Fe2O3 Monolayer Predicted from First Principles.
Nanoscale, 12
14847-14852.
http://dx.doi.org/10.1039/d0nr03391j