Multiferroic decorated Fe2O3 monolayer predicted from first principles
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Description
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.
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| ID Code: | 208808 | ||||||||
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| Item Type: | Contribution to Journal (Journal Article) | ||||||||
| Refereed: | Yes | ||||||||
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| Additional Information: | Funding Information: We acknowledge the grants of high-performance computer time from the computing facility at the Queensland University of Technology, the Pawsey Supercomputing Centre and Australian National Computational Infrastructure (NCI). L. K. gratefully acknowledges financial support by the ARC Discovery Project (DP190101607). C. L. acknowledges the financial support from the National NSF (Grant No. 11872309) of China and the Natural Science Basic Research Plan in Shaanxi Province (Grants No. 2020JM-120). | ||||||||
| Measurements or Duration: | 6 pages | ||||||||
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| DOI: | 10.1039/d0nr03391j | ||||||||
| ISSN: | 2040-3364 | ||||||||
| Pure ID: | 76048874 | ||||||||
| Divisions: | Current > Research Centres > Centre for Materials Science Past > QUT Faculties & Divisions > Science & Engineering Faculty Current > QUT Faculties and Divisions > Faculty of Science Current > Schools > School of Chemistry & Physics Current > Schools > School of Mechanical, Medical & Process Engineering |
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| Funding Information: | C. L. acknowledges the financial support from the National NSF (Grant No. 11872309) of China and the Natural Science Basic Research Plan in Shaanxi Province (Grants No. 2020JM-120). We acknowledge the grants of high-performance computer time from the computing facility at the Queensland University of Technology, the Pawsey Supercomputing Centre and Australian National Computational Infrastructure (NCI). L. K. gratefully acknowledges financial support by the ARC Discovery Project (DP190101607). | ||||||||
| Copyright Owner: | 2020 The Royal Society of Chemistry | ||||||||
| Copyright Statement: | This work is covered by copyright. Unless the document is being made available under a Creative Commons Licence, you must assume that re-use is limited to personal use and that permission from the copyright owner must be obtained for all other uses. If the document is available under a Creative Commons License (or other specified license) then refer to the Licence for details of permitted re-use. It is a condition of access that users recognise and abide by the legal requirements associated with these rights. If you believe that this work infringes copyright please provide details by email to qut.copyright@qut.edu.au | ||||||||
| Deposited On: | 11 Mar 2021 06:00 | ||||||||
| Last Modified: | 07 Aug 2024 21:02 |
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