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Local indirect magnetoelectric coupling at twin walls in CaMnO3

Ida C. Skogvoll*, Benjamin A. D. Williamson, and Sverre M. Selbach†

  • *Contact author: ida.c.skogvoll@ntnu.no
  • †Contact author: selbach@ntnu.no
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Phys. Rev. B 113, 224102 – Published 1 June, 2026

DOI: https://doi.org/10.1103/6y99-279q

Abstract

Ferroelastic twin walls in centrosymmetric perovskites can host emergent polar and magnetic properties forbidden in the bulk. We use density functional theory calculations to study the geometry and magnetic properties of ferroelastic domain walls in orthorhombic CaMnO3, which belongs to the most common perovskite space group, Pnma. At the wall, the inherent inversion symmetry breaking induces local polar distortions dependent on the wall geometry, which couple to the magnetic order through the octahedral distortions. Noncollinear calculations reveal enhanced out-of-plane magnetic moments on the Mn atoms and a local, finite magnetization confined to the wall. Strain fields across twin walls thus give rise to coexistence of polarization and magnetization as well as magnetoelectric response that is absent and symmetry forbidden in bulk CaMnO3. We propose that magnetoelectric coupling and coexisting polarization and magnetization can emerge at twin walls in bulk centrosymmetric antiferromagnets.

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Phys. Rev. B 113, 224102– Published 1 June, 2026
  • Received 18 November 2025
  • Revised 13 March 2026
  • Accepted 1 May 2026
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