Strain-tuned magnetoelectric properties of monolayer NiX$_2$ (X = I, Br): a first-principles analysis
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arXiv
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| Natura: | Preprint |
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2025
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| _version_ | 1866916952241340416 |
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| author | Ghojavand, Ali Sevik, Cem Milošević, Milorad V. |
| author_facet | Ghojavand, Ali Sevik, Cem Milošević, Milorad V. |
| contents | Using \textit{ab initio} methodology, we reveal a strain-mediated approach to precisely tune the magnetoelectric coupling and spin-driven emergent polarization of NiX$_2$ (X = I, Br) monolayers. In the absence of strain, these systems spontaneously stabilize non-collinear 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 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 piezo-magnetoelectricity and expand the possibilities for designing multifunctional two-dimensional straintronic devices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_13182 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Strain-tuned magnetoelectric properties of monolayer NiX$_2$ (X = I, Br): a first-principles analysis Ghojavand, Ali Sevik, Cem Milošević, Milorad V. Materials Science Mesoscale and Nanoscale Physics Using \textit{ab initio} methodology, we reveal a strain-mediated approach to precisely tune the magnetoelectric coupling and spin-driven emergent polarization of NiX$_2$ (X = I, Br) monolayers. In the absence of strain, these systems spontaneously stabilize non-collinear 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 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 piezo-magnetoelectricity and expand the possibilities for designing multifunctional two-dimensional straintronic devices. |
| title | Strain-tuned magnetoelectric properties of monolayer NiX$_2$ (X = I, Br): a first-principles analysis |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2509.13182 |