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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2509.22827 |
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| _version_ | 1866918258578292736 |
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| author | Valdés-Toro, B. Ferreira-Araya, I. Gallardo, R. A. González, J. W. |
| author_facet | Valdés-Toro, B. Ferreira-Araya, I. Gallardo, R. A. González, J. W. |
| contents | We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI$_2$) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a x-stripe antiferromagnetic ground state, while in bilayers the BA$^\prime$ stacking is the global minimum with antiparallel interlayer magnetic alignment. Bilayer configurations strengthen the exchange in the plane by 6 % to 10 %, while the exchange between layers is registry-dependent. The symmetry of each stacking configuration allows for anisotropic interactions. Dzyaloshinskii-Moriya terms appear in structures without inversion symmetry, which in this case also generates in-plane polarizations of up to $\sim$ 10 $μ$C/cm$^2$, resulting in direct magnetoelectric coupling that is absent in centrosymmetric monolayers. Thus, stacking acts both as a selector of exchange anisotropy and as a driver of magnetoelectricity. Our results show that bilayer CrI$_2$ can be mechanically reconfigured through interlayer sliding, with energy differences between stacking orders (25-50 meV/f.u.) that are compatible with experimental actuation. Tunable magnetism and register-dependent polarization offer promising opportunities for novel spintronic devices, where structural transitions can affect both magnetic states and electric dipoles. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_22827 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Stacking-Controlled Magnetic Exchange and Magnetoelectric Coupling in Bilayer CrI$_2$ Valdés-Toro, B. Ferreira-Araya, I. Gallardo, R. A. González, J. W. Materials Science We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI$_2$) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a x-stripe antiferromagnetic ground state, while in bilayers the BA$^\prime$ stacking is the global minimum with antiparallel interlayer magnetic alignment. Bilayer configurations strengthen the exchange in the plane by 6 % to 10 %, while the exchange between layers is registry-dependent. The symmetry of each stacking configuration allows for anisotropic interactions. Dzyaloshinskii-Moriya terms appear in structures without inversion symmetry, which in this case also generates in-plane polarizations of up to $\sim$ 10 $μ$C/cm$^2$, resulting in direct magnetoelectric coupling that is absent in centrosymmetric monolayers. Thus, stacking acts both as a selector of exchange anisotropy and as a driver of magnetoelectricity. Our results show that bilayer CrI$_2$ can be mechanically reconfigured through interlayer sliding, with energy differences between stacking orders (25-50 meV/f.u.) that are compatible with experimental actuation. Tunable magnetism and register-dependent polarization offer promising opportunities for novel spintronic devices, where structural transitions can affect both magnetic states and electric dipoles. |
| title | Stacking-Controlled Magnetic Exchange and Magnetoelectric Coupling in Bilayer CrI$_2$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2509.22827 |