mriselMagnetic Resonance in SolidsMagnetic Resonance in Solids2072-5981Kazan Federal University10.26907/mrsej-24106mrisel-245Research ArticleСтатьиDFT investigation of magneto-electric coupling at the antiferromagnetic/ferroelectric interfaces: LaMnO3/XTiO3 (X=Ba, Pb) heterostructurePiyanzinaI. I.

Kazan 420008; Kazan 420029

i.piyanzina@gmail.comMaminR. F.

Kazan 420029

NedopekinO. V.

Kazan 420008

TayurskiiD. A.

Kazan 420008

Kazan Federal University; Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RASRussian FederationZavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RASRussian FederationKazan Federal UniversityRussian Federation202419042024261SPECIAL ISSUE dedicated to Boris I. Kochelaev's 90th birthday24106 (9 pp.)Copyright © Piyanzina I.I., Mamin R.F., Nedopekin O.V., Tayurskii D.A., 20242024Piyanzina I.I., Mamin R.F., Nedopekin O.V., Tayurskii D.A.Piyanzina I.I., Mamin R.F., Nedopekin O.V., Tayurskii D.A.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/245

The primary benefit of incorporating a ferroelectric material into a complex heterostructure lies in the ability to manipulate various properties of the entire system using an external electric field. Specifically, the electric field can alter the polarization direction within the ferroelectric material, thereby influencing its structural properties. These structural changes, in turn, affect the electronic and magnetic properties of the neighboring material. The interfacial phenomena are of significant interest due to their potential to provide enhanced functionality in next-generation electronic devices. Inspired by the concept of employing ferroelectrics in heterostructure components, this study investigates the two-dimensional electron gas (2DEG) and the impact of ferroelectric polarization direction onto the electronic and magnetic properties. Lastly the presence of magnetoelectric coupling (ME) within the model systems of LaMnO3/BaTiO3 and LaMnO3/PbTiO3 heterostructures using density functional theory calculations was examined.

ferroelectricheterostructuredensity functional theory2DEGME couplingThe research was supported by the government assignment for the FRC Kazan Scientific Center of RAS. Computational resources were provided by the Laboratory of Computer Design of New Materials and Machine Learning of Kazan Federal University.ReferencesFredrickson K.D., Demkov A.A. Phys. Rev. B 91, 115126 (2015)Fredrickson K.D., Demkov A.A. Phys. Rev. B 91, 115126 (2015)Niranjan M.K., Wang Y., Jaswal S.S., Tsymbal E.Y. Phys. Rev. Lett. 103, 016804 (2009)Niranjan M.K., Wang Y., Jaswal S.S., Tsymbal E.Y. Phys. Rev. Lett. 103, 016804 (2009)Liu X., Tsymbal E.Y., Rabe K.M. Phys. Rev. B 97, 094107 (2018)Liu X., Tsymbal E.Y., Rabe K.M. Phys. Rev. B 97, 094107 (2018)Weng Y., Niu W., Huang X., An M., Dong Sh. Phys. Rev. B 103, 214101 (2021)Weng Y., Niu W., Huang X., An M., Dong Sh. Phys. Rev. B 103, 214101 (2021)Cao C., Chen S., Deng J., Li G., Zhang Q., Gu L., Ying T.P., Guo E.J., Guo J.G., Chen X. 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The authors declare that there are no conflicts of interest present.