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Stacking-Dependent Magnetism in Bilayer CrI3

TLDR
In this paper, the authors reported the connection between the stacking order and magnetic properties of bilayer CrI3 using first-principles calculations and showed that stacking order defines the magnetic ground state.
Abstract
We report the connection between the stacking order and magnetic properties of bilayer CrI3 using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order, one can tune the interlayer exchange interaction between antiferromagnetic and ferromagnetic. To measure the predicted stacking-dependent magnetism, we propose using linear magnetoelectric effect. Our results not only gives a possible explanation for the observed antiferromagnetism in bilayer CrI3 but also have direct implications in heterostructures made of two-dimensional magnets.

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Two-dimensional magnetic crystals and emergent heterostructure devices

TL;DR: Recognizing that magnetic anisotropy can be used to induce stable magnetism in atomic monolayers, Gong and Zhang provide an overview of the materials available and the physical understanding of the effects and then discuss how these effects could be exploited for widespread practical applications.
Journal ArticleDOI

Magnetic 2D materials and heterostructures.

TL;DR: In this paper, the authors discuss the difference between magnetic states in 2D materials and in bulk crystals and present an overview of the 2D magnets that have been explored recently, focusing on the case of the two most studied systems-semiconducting CrI3 and metallic Fe3GeTe2.
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Pressure-controlled interlayer magnetism in atomically thin CrI3.

TL;DR: In this paper, pressure-induced changes in the magnetic order of atomically thin van der Waals crystals are revealed and attributed to changes in stacking arrangement, and the interlayer ferromagnetic ground state is established in bulk CrI3 but not observed in native exfoliated thin films.
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Probing magnetism in 2D materials at the nanoscale with single-spin microscopy.

TL;DR: In this article, single-spin magnetometry based on diamond nitrogen-vacancy centers was used to image the magnetization, localized defects, and magnetic domains of atomically thin crystals of the vdW magnet chromium(III) iodide (CrI3).
References
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Journal ArticleDOI

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data

TL;DR: VESTA has been upgraded to the latest version, VESTA 3, implementing new features including drawing the external mor­phology of crystals, and an extended bond-search algorithm to enable more sophisticated searches in complex molecules and cage-like structures.
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Unconventional superconductivity in magic-angle graphene superlattices

TL;DR: The realization of intrinsic unconventional superconductivity is reported—which cannot be explained by weak electron–phonon interactions—in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle.
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Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data

TL;DR: It is shown that the effective atomic C6 coefficients depend strongly on the bonding environment of an atom in a molecule, and the van der Waals radii and the damping function in the C6R(-6) correction method for density-functional theory calculations.
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