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Strain-tuned magnetoelectric properties of monolayer NiX2 (X = I, Br): A first-principles analysis

Ali Ghojavand, Cem Sevik, and Milorad V. Milošević*

  • *Contact author: milorad.milosevic@uantwerpen.be
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Phys. Rev. Materials 10, 044402 – Published 3 April, 2026

DOI: https://doi.org/10.1103/1g59-ccgq

Abstract

Using ab initio methodology, we reveal a strain‐mediated approach to precisely tune the magnetoelectric coupling and spin-driven emergent polarization of NiX2 (X = I, Br) monolayers. In the absence of strain, these systems spontaneously stabilize noncollinear spin states that break the inversion symmetry, inducing a ferroelectric polarization in the plane of the material. We show that biaxial and uniaxial strains broadly modulate the magnetoelectric response in these materials through two distinct mechanisms: (i) direct modification of the magnetoelectric tensor components, and (ii) tuning of the characteristic propagation vectors of a spin texture. This dual mechanism enables rather precise control over the magnitude of the spin‐induced electric polarization of these materials. With respect to the achievable magnitude of the electric polarization, we demonstrate the critical role of third nearest‐neighbor spin‐pair contributions, which can increase under strain to levels that compete with or even exceed the polarization driven by first nearest-neighbor effects. These findings offer important insights into low-dimensional piezomagnetoelectricity and expand the possibilities for designing multifunctional 2D straintronic devices.

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Phys. Rev. Materials 10, 044402– Published 3 April, 2026
  • Received 16 September 2025
  • Accepted 16 March 2026
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