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dc.contributor.authorLeón A.M
dc.contributor.authorVelásquez É.A
dc.contributor.authorCaro-Lopera F
dc.contributor.authorMejía-López J.
dc.descriptionCommensurable 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 moiré patterns in twisted hexagonal bilayers by performing a certain commensurable rotation θ over one layer is presented. To test the approach, moiré structures with (Formula presented.) and 32.20° in the phases R (Formula presented.) 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. © 2022 Wiley-VCH GmbHeng
dc.publisherJohn Wiley and Sons Inc
dc.sourceAdvanced Theory and Simulations
dc.titleTuning Magnetic Order in CrI3 Bilayers via Moiré Patterns
dc.publisher.programCiencias Básicas
dc.subject.keywordMagnetic propertieseng
dc.subject.keywordMoire fringeseng
dc.subject.keywordAb initio methodologyeng
dc.subject.keywordElectronic and magnetic propertieseng
dc.subject.keywordLayered compoundeng
dc.subject.keywordMagnetic orderseng
dc.subject.keywordMagnetic stateeng
dc.subject.keywordMathematical approacheng
dc.subject.keywordMoire patterneng
dc.subject.keywordTwisted bilayerseng
dc.subject.keywordChromium compoundseng
dc.publisher.facultyFacultad de Ciencias Básicas
dc.affiliationLeón, A.M., Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Straße 40 Dresden, Dresden, 01187, Germany
dc.affiliationVelásquez, É.A., Grupo MATBIOM, Facultad de Ciencias Básicas, Universidad de Medellín, Cra. 87 30-65, Medellín, Colombia
dc.affiliationCaro-Lopera, F., Facultad de Ciencias Básicas, Universidad de Medellín, Cra. 87 30-65, Medellín, Colombia
dc.affiliationMejía-López, J., Centro de Investigación en Nanotecnología y Materiales Avanzados, Facultad de Física, Pontificia Universidad Católica de Chile, CEDENNA, casilla 306, Santiago, 22, Chile
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dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellín
dc.identifier.instnameinstname:Universidad de Medellín

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