Robust Magnetoelectric Coupling in FeTiO3/Ga2O3 Non-van der Waals Heterostructures

Cui Jin; Xiao Tang; Qilong Sun; Chenxi Mu; Arkady V. Krasheninnikov; Liangzhi Kou

doi:10.1021/acs.jpclett.4c00029

Robust Magnetoelectric Coupling in FeTiO₃/Ga₂O₃ Non-van der Waals Heterostructures

Cui Jin, Xiao Tang, Qilong Sun, Chenxi Mu, Arkady V. Krasheninnikov, Liangzhi Kou^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › Scientific › peer-review

5 Citations (Scopus)

Abstract

Magnetoelectric coupling represents a significant breakthrough for next-generation electronics, offering the ability to achieve nonvolatile magnetic control via electrical means. In this comprehensive investigation, leveraging first-principles calculations, we unveil a robust magnetoelectric coupling within multiferroic heterostructures (HSs) by ingeniously integrating a non-van der Waals (non-vdW) magnetic FeTiO₃ monolayer with the ferroelectric (FE) Ga₂O₃. Diverging from conventional van der Waals (vdW) multiferroic HSs, the magnetic states of the FeTiO₃ monolayer can be efficiently toggled between ferromagnetic (FM) and antiferromagnetic (AFM) configurations by reversing the polarization of the Ga₂O₃ monolayer. This intriguing phenomenon arises from polarization-dependent substantial interlayer electron transfers and the interplay between superexchange and direct-exchange magnetic couplings of the iron atoms. The carrier-mediated interfacial interactions induce crucial shifts in Fermi level positions, decisively imparting distinct electronic characteristics near the Fermi level of composite systems. These novel findings offer exciting prospects for the future of magnetoelectric technology.

Original language	English
Pages (from-to)	2650-2657
Number of pages	8
Journal	Journal of Physical Chemistry Letters
Volume	15
Issue number	10
Early online date	2024
DOIs	https://doi.org/10.1021/acs.jpclett.4c00029
Publication status	Published - 14 Mar 2024
MoE publication type	A1 Journal article-refereed

Funding

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 Facility. C.J. gratefully acknowledges the financial support of the Natural Science Foundation of Shandong Province under Grant No. ZR2020QA056 and the Development Plan of Youth Innovation Team of University in Shandong Province under Grant No. 2022KJ200. L.K. gratefully acknowledges financial support by the ARC Discovery Project (DP230101904).

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10.1021/acs.jpclett.4c00029

https://www.hzdr.de/publications/Publ-39035

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title = "Robust Magnetoelectric Coupling in FeTiO3/Ga2O3 Non-van der Waals Heterostructures",

abstract = "Magnetoelectric coupling represents a significant breakthrough for next-generation electronics, offering the ability to achieve nonvolatile magnetic control via electrical means. In this comprehensive investigation, leveraging first-principles calculations, we unveil a robust magnetoelectric coupling within multiferroic heterostructures (HSs) by ingeniously integrating a non-van der Waals (non-vdW) magnetic FeTiO3 monolayer with the ferroelectric (FE) Ga2O3. Diverging from conventional van der Waals (vdW) multiferroic HSs, the magnetic states of the FeTiO3 monolayer can be efficiently toggled between ferromagnetic (FM) and antiferromagnetic (AFM) configurations by reversing the polarization of the Ga2O3 monolayer. This intriguing phenomenon arises from polarization-dependent substantial interlayer electron transfers and the interplay between superexchange and direct-exchange magnetic couplings of the iron atoms. The carrier-mediated interfacial interactions induce crucial shifts in Fermi level positions, decisively imparting distinct electronic characteristics near the Fermi level of composite systems. These novel findings offer exciting prospects for the future of magnetoelectric technology.",

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AU - Jin, Cui

AU - Tang, Xiao

AU - Sun, Qilong

AU - Mu, Chenxi

AU - Krasheninnikov, Arkady V.

AU - Kou, Liangzhi

PY - 2024/3/14

Y1 - 2024/3/14

N2 - Magnetoelectric coupling represents a significant breakthrough for next-generation electronics, offering the ability to achieve nonvolatile magnetic control via electrical means. In this comprehensive investigation, leveraging first-principles calculations, we unveil a robust magnetoelectric coupling within multiferroic heterostructures (HSs) by ingeniously integrating a non-van der Waals (non-vdW) magnetic FeTiO3 monolayer with the ferroelectric (FE) Ga2O3. Diverging from conventional van der Waals (vdW) multiferroic HSs, the magnetic states of the FeTiO3 monolayer can be efficiently toggled between ferromagnetic (FM) and antiferromagnetic (AFM) configurations by reversing the polarization of the Ga2O3 monolayer. This intriguing phenomenon arises from polarization-dependent substantial interlayer electron transfers and the interplay between superexchange and direct-exchange magnetic couplings of the iron atoms. The carrier-mediated interfacial interactions induce crucial shifts in Fermi level positions, decisively imparting distinct electronic characteristics near the Fermi level of composite systems. These novel findings offer exciting prospects for the future of magnetoelectric technology.

AB - Magnetoelectric coupling represents a significant breakthrough for next-generation electronics, offering the ability to achieve nonvolatile magnetic control via electrical means. In this comprehensive investigation, leveraging first-principles calculations, we unveil a robust magnetoelectric coupling within multiferroic heterostructures (HSs) by ingeniously integrating a non-van der Waals (non-vdW) magnetic FeTiO3 monolayer with the ferroelectric (FE) Ga2O3. Diverging from conventional van der Waals (vdW) multiferroic HSs, the magnetic states of the FeTiO3 monolayer can be efficiently toggled between ferromagnetic (FM) and antiferromagnetic (AFM) configurations by reversing the polarization of the Ga2O3 monolayer. This intriguing phenomenon arises from polarization-dependent substantial interlayer electron transfers and the interplay between superexchange and direct-exchange magnetic couplings of the iron atoms. The carrier-mediated interfacial interactions induce crucial shifts in Fermi level positions, decisively imparting distinct electronic characteristics near the Fermi level of composite systems. These novel findings offer exciting prospects for the future of magnetoelectric technology.

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Robust Magnetoelectric Coupling in FeTiO₃/Ga₂O₃ Non-van der Waals Heterostructures

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