Tunning magnetism and anisotropy by ferroelectric polarization in 2D van der Waals multiferroic heterostructures
Graphical abstract
Section snippets
Credit author statement
Wenxuan Wang, Conceptualization, Methodology, Writing - Original Draft, Writing - Review & Editing. Wei Sun, Investigation, Software, Data Curation. Hang Li, Supervision, Funding acquisition. Xiaoning Li, Validation, Visualization. Zheyin Yu, Validation. Ying Bai, Review. Fengzhu Ren, Writing - Review & Editing. Hongyang Zhao, Review. Jianli Wang, Review. Zhenxiang Cheng: Supervision, Conceptualization, Writing - Review & Editing.
Methods
First-principles calculations were performed using the VASP package based on the projected augmented wave pseudopotentials [33,34]. The generalized gradient approximation (GGA) was considered as exchange-correlation functional including a U correction for Ru d-orbitals (GGA + U, U = 2.4 eV and J = 0.4 eV) [35,36]. And we took the van der Waals corrections as parameterized in the semiempirical DFT-D3 method into consideration for all the configurations [37]. The first Brillouin zone is sampled
Results and discussions
We implemented total energy spin polarization calculations to explore the magnetic ground state of monolayer α-RuCl3, including FM, AFM-Néel, AFM-zigzag, and AFM-stripy phases, and the corresponding spin structures are shown in Fig. 1. The relative energies of the four magnetic phases are summarized in Table S1 (See supplementary material). Here, the computation results show that the AFM-zigzag phase of RuCl3 monolayer is the ground state with magnetic moment of 1 μB and an easy plane
Summary
In conclusion, using first-principles calculation, we exploited the 2D vdW α-RuCl3/CuInP2S6 HSs as the platform hosting a robust ME coupling effect. By switching the CuInP2S6 FE polarization, the next-neighbor exchange interactions and anisotropy of α-RuCl3 was modified, then further enable the α-RuCl3 transformed from easy plane AFM to easy axis FM ordering, making the 2D easy axis FM α-RuCl3 more advantageous in functionality for practical applications. The elaborated investigation suggests
Declaration of competing interest
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Acknowledgements
We acknowledge grants from the National Natural Science Foundation of China (Nos. 51571083, 11674083 and 52102238) and the Foundation of Postgraduate Education Innovation and Quality Improvement Project of Henan University (No. CX3040A0960115, CJ3050A0670499, CJ3050A0670524). H. Li acknowledges support from Henan University (Grant No. CJ3050A0240050) and the National Natural Science Foundation of China (Grant No. 11804078). Z.X. Cheng thanks the Australian Research Council for support (
References (50)
- et al.
Room-temperature ferroelectricity in CuInP2S6 ultrathin flakes
Nat. Commun.
(2016) - et al.
Possible structural transformation and enhanced magnetic fluctuations in exfoliated α-RuCl3
J. Phys. Chem. Solid.
(2019) - et al.
Controlled synthesis and room-temperature pyroelectricity of CuInP2S6 ultrathin flakes
Nano Energy
(2019) - et al.
Spin–orbit induced magnetic phenomena in bulk metals and their surfaces and interfaces
J. Magn. Magn Mater.
(1999) - et al.
Multiferroic materials and magnetoelectric physics: symmetry, entanglement, excitation, and topology[J]
Adv. Phys.
(2015) - et al.
Magnetoelectricity in multiferroics: a theoretical perspective[J]
Natl. Sci. Rev.
(2019) - et al.
Advances in magnetoelectric multiferroics[J]
Nat. Mater.
(2019) - et al.
Deterministic switching of ferromagnetism at room temperature using an electric field
Nature
(2014) - et al.
The evolution of multiferroics
Nat. Rev. Mater.
(2016) - et al.
Electrically driven reversible magnetic rotation in nanoscale multiferroic heterostructures
ACS Nano
(2018)
2D materials and van der Waals heterostructures[J]
Science
Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit
Nature
Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals
Nature
Gate-tunable room-temperature ferromagnetism in two-dimensional Fe3GeTe2
Nature
Discovery of robust in-plane ferroelectricity in atomic-thick SnTe
Science
Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials
Nat. Commun.
Two-dimensional magnetic crystals and emergent heterostructure devices
Science
Absence of ferromagnetism or antiferromagnetism in one-or two-dimensional isotropic Heisenberg models
Phys. Rev. Lett.
On the origin of magnetic anisotropy in two dimensional CrI3
2D Mater.
Multiferroicity in atomic van der Waals heterostructures
Nat. Commun.
Perpendicular magnetic anisotropy at transition metal/oxide interfaces and applications
Rev. Mod. Phys.
Emission of spin waves by a magnetic multilayer traversed by a current
Phys. Rev. B
Perpendicular all the way
Nat. Mater.
A perpendicular-anisotropy CoFeB–MgO magnetic tunnel junction
Nat. Mater.
Current-driven magnetization switching in a van der Waals ferromagnet Fe3GeTe2
Sci. Adv.
Cited by (8)
Magneto-electric coupling beyond van der Waals interaction in two-dimensional multiferroic heterostructures
2023, Applied Physics LettersExploitable magnetic anisotropy and half-metallicity controls in multiferroic van der Waals heterostructure
2023, npj Computational Materials