Tuning Magnetic Order in CrI3 Bilayers via Moire Patterns

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dc.contributor.authorLeon, Andrea M.
dc.contributor.authorVelasquez, Ever A.
dc.contributor.authorCaro-Lopera, Francisco
dc.contributor.authorMejia-Lopez, Jose
dc.date.accessioned2025-01-20T22:00:55Z
dc.date.available2025-01-20T22:00:55Z
dc.date.issued2022
dc.description.abstractCommensurable twisted bilayers can drastically change the magnetic properties of chromium trihalide layered compounds, which opens novel opportunities for tuning magnetic states through layer rotations. Here, a mathematical approach to obtain moire patterns in twisted hexagonal bilayers by performing a certain commensurable rotation theta over one layer is presented. To test the approach, moire structures with theta=21.79 degrees and 32.20 degrees in the phases R (3) over bar and C2/m of CrI3 are obtained via the related methodology. For comparison purposes, a non-shifted CrI3 structure is also considered. Electronic and magnetic properties of the so-obtained systems are computed by ab initio methodologies. Results show the presence of rotation-angle-dependent magnetic configurations and steep modifications of the dispersion bands due to variations in the nearest and next nearest distances among layers of Cr atoms. Modifications obtained from these commensurable rotations are discussed on the basis of competition among different energy contributions due to changes in the atomic neighborhood.
dc.fuente.origenWOS
dc.identifier.doi10.1002/adts.202100307
dc.identifier.eissn2513-0390
dc.identifier.urihttps://doi.org/10.1002/adts.202100307
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/93765
dc.identifier.wosidWOS:000746555100001
dc.issue.numero4
dc.language.isoen
dc.revistaAdvanced theory and simulations
dc.rightsacceso restringido
dc.subjectMoire patterns
dc.subject2D materials
dc.subjectCrI3 layers
dc.subjectmagnetic order
dc.titleTuning Magnetic Order in CrI3 Bilayers via Moire Patterns
dc.typeartículo
dc.volumen5
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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