Interplay between interlayer exchange and stacking in CrI3 bilayers
By D. Soriano, C. Cardoso, J. Fernández-Rossier. Solid State Communications, 2018
157 citations recorded by the source corpus.
Abstract We address the interplay between stacking and interlayer exchange for ferromagnetically ordered CrI3, both for bilayers and bulk. Whereas bulk CrI3 is ferromagnetic, both magneto-optical and transport experiments show that interlayer exchange for CrI3 bilayers is antiferromagnetic. Bulk CrI3 is known to assume two crystal structures, rhombohedral and monoclinic, that differ mostly in the stacking between monolayers. Below 210–220 K, bulk CrI3 orders in a rhombohedral phase. Our density functional theory calculations show a very strong dependence of interlayer exchange and stacking. Specifically, the ground states of both bulk and free-standing CrI3 bilayers are ferromagnetic for the rhombohedral phase. In contrast, the energy difference between both configurations is more than one order of magnitude smaller for the monoclinic phase, and eventually becomes antiferromagnetic when either positive strain or on-site Hubbard interactions (U ≥ 3) are considered. We also explore the interplay between interlayer hybridization and stacking, using a Wannier basis, and between interlayer hybridization and relative magnetic alignment for CrI3 bilayers, that helps to account for the very large tunnel magnetoresistance observed in recent experiments.
Subfields: Electrical and Electronic Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/fc07be8d17af4ded3f115899af7361b66b7ccdc3
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Citations in the corpus
- Stacking-Dependent Magnetism in Bilayer CrI3. (2018, background): “—Recently, two related papers [47, 48] have studied the stacking-dependent magnetism in CrI3 bilayers, but only focused on the AB and AB′-stacking.”
- Magnetism, symmetry and spin transport in van der Waals layered systems (2021, unknown): “In the thin-film regime, two studies 103,113 both independently applied hydrostatic pressure of a few GPa on a few monolayer of CrI 3 and observed a monoclinic-to-rhombohedral structural transition, driven by interlayer antiferromagnetic or ferromagnetic couplings 114–117 .”
- Probing and controlling magnetic states in 2D layered magnetic materials (2019, unknown): “…suggested that the observed layer-dependent magnetism originates from the locking of atomically thin samples in the monoclinic stacking order 29,70,85,86 , in contrast to the stacking order of the bulk material, which changes from a high-temperature monoclinic stacking to a low-temperature…”