mriselMagnetic Resonance in SolidsMagnetic Resonance in Solids2072-5981Kazan Federal University10.26907/mrsej-25203mrisel-280Research ArticleСтатьиMagnetoelectric and spin-lattice effects in Fe/BaTiO3 heterostructure: non-collinear DFT calculationsPiyanzinaI. I.

Yerevan 0025; Kazan 420029

irina.gumarova@ysu.amBurganovaR.

Kazan 420008

KamashevA. A.

Kazan 420029

MaminR. F.

Kazan 420029

Yerevan State University; Zavoisky Physical-Technical InstituteArmeniaKazan Federal UniversityRussian FederationZavoisky Physical-Technical InstituteRussian Federation20251106202527225203 (13 pp.)Copyright © Piyanzina I.I., Burganova R., Kamashev A.A., Mamin R.F., 20252025Piyanzina I.I., Burganova R., Kamashev A.A., Mamin R.F.Piyanzina I.I., Burganova R., Kamashev A.A., Mamin R.F.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.mrsej.ru/jour/article/view/280

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.

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The authors declare that there are no conflicts of interest present.