22-24 September 2026
Bogolyubov Institute for Theoretical Physics
Europe/Kiev timezone

Manifestation of bilinear flexo-antiferrodistortive coupling at twins and antiphase boundaries in ferroelastics

24 Sep 2026, 15:30
30m
Conference Hall (Bogolyubov Institute for Theoretical Physics)

Conference Hall

Bogolyubov Institute for Theoretical Physics

14-b, Metrolohichna Str., Kyiv, 03143, Ukraine
Lecture CONDENSED MATTER PHYSICS

Speaker

Anna Morozovska (Інститут фізики НАН України)

Description

The flexoelectric-type coupling between the gradients of electric polarization, described by a true polar vector $\vec{P}$, and the antiphase rotation of structural groups, described by an axial pseudovector $\vec{\Phi }$, can lead to the appearance of interfacial polarization at the twin walls, antiphase boundaries and surfaces of antiferrodistortive (AFD) ferroelastics [1]. The linear-quadratic flexo-AFD coupling may contribute significantly to observable interfacial polarization induced by oxygen octahedral rotations at the antiphase boundaries and/or twin walls in YMnO3, Ca3Mn2O7, CaTiO3 and SrTiO3, as well as lead to the appearance of versatile spatially modulated structures in multiferroics [1].
The quadratic dependence of the linear-quadratic flexo-AFD coupling energy on $\vec{\Phi}$ appeared principally important for the emergence of interfacial polarization, because the odd powers of anti-phase (i.e., sign-alternating in neighboring sublattices) pseudovector $\vec{\Phi }$ cannot induce the continuous polarization of structural domain walls, surfaces or interfaces in AFD ferroelastics. Therefore, it seemed that it made little sense to consider odd powers of $\vec{\Phi }$ when constructing the sublattice-insensitive flexo-AFD coupling energy. However, recently Visser et al. [2] and Fang et al. [3] proposed the concept of alterelectricity, an electrical analogue of altermagnetism, in which two switchable states possess alternating band structures.
Using the Landau-Ginsburg-Devonshire approach we show that the linear gradient-type coupling between the electric polarization vector $\vec{P}$ and antiferrodistortive long-range order parameter pseudovector $\vec{\Phi }$, that has the form of Lifshitz invariant $\left(\vec{P}\bullet \mathrm{\nabla }\times \vec{\Phi }\; -\vec{\Phi }\bullet \mathrm{\nabla }\times \vec{P}\right)/2$ and named “bilinear flexo-antiferrodistortive coupling”, can emerge in all antiferrodistortive ferroelastics, since it is symmetry-allowed [4]. Using the four sublattices model we reveal that the bilinear flexo-antiferrodistortive coupling can induce the sublattice-sensitive polarization at the twin walls and antiphase boundaries in antiferrodistortive ferroelastics without any ferroelectric or antiferroelectric ordering. Since the induced polarization $\vec{\delta P}$ is perpendicular to $\vec{\Phi}$ and counter-directed in neighboring sublattices with checkerboard-type direction of $\vec{\Phi}$, such structure of $\vec{\delta P}$ may correspond to the alterelectric-type quadrupolar electric order. However, physical manifestations of the bilinear flexo-antiferrodistortive coupling are invisible in most nanostructured antiferrodistortive ferroelectrics and antiferroelectrics due to the domination of piezoelectric and/or omnipresent linear flexoelectric couplings. We have shown that the bilinear flexo-antiferrodistortive coupling can induce alterelectric-type polarization near antiferrodistortive domain boundaries in ferroelastics without any ferroelectric or antiferroelectric long-range ordering [1].
Acknowledgements. The work is primary supported as part of the Computational Materials Sciences Program funded by the US Department of Energy, Office of Science, Basic Energy Sciences, under Award Number DE-SC0020145. The part of A.N.M. and E.A.E. efforts is also supported by National Academy of Sciences of Ukraine (grants No. 5.8/26-П, 1.4.B/222, III-6-26).
[1]. A.N. Morozovska, E.A. Eliseev, M.D. Glinchuk, L.-Q. Chen, V. Gopalan. Interfacial Polarization and Pyroelectricity in Antiferrodistortive Structures Induced by a Flexoelectric Effect and Rotostriction. Phys.Rev. B. 85, 094107 (2012); https://doi.org/10.1103/PhysRevB.85.094107
[2]. A. Visser, V. Könye, O. Janson, J. van den Brink, C. Coulais, and J. van Wezel. "Multipolar Piezoelectricity and Anisotropic Surface Transport in Alterelectrics." arXiv preprint arXiv:2604.18324 (2026); https://doi.org/10.48550/arXiv.2604.18324
[3]. S. Fang, J. Wang, Z. Guo, J. Gong, H. Meng, W. Wang, Z. Cheng, X. Wang, and Y. S. Ang. "Alterelectricity: Electrical Analogue of Altermagnetism." arXiv preprint arXiv:2604.07112 (2026); https://doi.org/10.48550/arXiv.2604.07112
[4]. E. A. Eliseev, A. N. Morozovska, A. Saha and V. Gopalan. Bilinear Flexo-Antiferrodistortive Coupling in Ferroelastics: Polar Twins, Antiphase Boundaries and Fingerprints of Alterelectricity. ArXiv Preprint (2026); https://doi.org/10.48550/arXiv.2606.29456

Primary authors

Anna Morozovska (Інститут фізики НАН України) Eugene Eliseev (Frantsevich Institute for Problems in Materials Science, National Academy of Sciences of Ukraine) Dr Akash Saha (Department of Materials Science and Engineering, Pennsylvania State University) Prof. Venkatraman Gopalan (Department of Materials Science and Engineering, Pennsylvania State University)

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