Magnetoelectric and spin-lattice effects in Fe/BaTiO3 heterostructure: non-collinear DFT calculations
https://doi.org/10.26907/mrsej-25203
Abstract
This article uses density functional theory calculations to explore the structural, electronic, and magnetic features of a ferromagnet/ferroelectric Fe/BaTiO3 heterostructure, which possesses a complex non-collinear magnetic structure. The presented research focuses on the evolution of spin systems under the influence of external fields, namely the reorientation of magnetic moments driven by electric-field-induced polarization switching and lattice strain. We demonstrated that the electronic and magnetic properties of the thin ferromagnetic Fe film can be effectively tuned by applying an external electric field - simply by altering the polarization direction of the ferroelectric BaTiO3. By incorporating spin-orbit coupling into the computation scheme, we evaluated the relative structural distortions, magnetic moments in atomic layers, atom- and orbital-resolved density of states, magnetic anisotropy energies, and easy magnetization directions.
Keywords
ferroelectric,
heterostructure,
noncollinear magnetism,
density functional theory,
ME coupling,
reverse magnetostriction
Supporting agencies: The work of I.Piyanzina (Gumarova) was supported by the grant 24PostDoc/2-2F006. The work of R. Mamin, A. Kamashev and I. Piyanzina was supported by the government assignment for the FRC Kazan Scientific Center of RAS. Computational resources were provided by the Armenian National Supercomputing Center (ANSCC).
About the Authors
I. I. Piyanzina
Yerevan State University; Zavoisky Physical-Technical Institute
Armenia
Armenia
Yerevan 0025; Kazan 420029
R. Burganova
Kazan Federal University
Russian Federation
Russian Federation
Kazan 420008
A. A. Kamashev
Zavoisky Physical-Technical Institute
Russian Federation
Russian Federation
Kazan 420029
R. F. Mamin
Zavoisky Physical-Technical Institute
Russian Federation
Russian Federation
Kazan 420029
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Review
For citations:
Piyanzina I.I., Burganova R., Kamashev A.A., Mamin R.F. Magnetoelectric and spin-lattice effects in Fe/BaTiO3 heterostructure: non-collinear DFT calculations. Magnetic Resonance in Solids. 2025;27(2):25203 (13 pp.). https://doi.org/10.26907/mrsej-25203
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