Magnetic interactions and spin excitations in van der Waals ferromagnet VI${}_3$

Abstract

Using a combination of density functional theory (DFT) and spin-wave theory methods, we investigate the magnetic interactions and spin excitations in semiconducting VI${}_3$. Exchange parameters of monolayer, bilayer, and bulk forms are evaluated by mapping the magnetic energies of various spin configurations, calculated using DFT+$U$, onto the Heisenberg model. The intralayer couplings remain largely unchanged in three forms of VI${}_3$, while the interlayer couplings show stronger dependence on the dimensionality of the materials. We calculate the spin-wave spectra within a linear spin-wave theory and discuss how various exchange parameters affect the magnon bands. The magnon-magnon interaction is further incorporated, and the Curie temperature is estimated using a self-consistently renormalized spin-wave theory. To understand the roles of constituent atoms on magnetocrystalline anisotropy energy (MAE), we resolve MAE into sublattices and find that a strong negative V-I inter-sublattice contribution is responsible for the relatively small easy-axis MAE in VI${}_3$.

arXiv comment10 pages, 6 figures, Accepted as Special Issue Article in Journal of Physics D: Applied Physics

References in corpus (27)

• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Magnetic 2D materials and heterostructures
• Prediction and observation of the first antiferromagnetic topological insulator
• Controlling magnetism in 2D CrI3 by electrostatic doping
• Stacking-Dependent Magnetism in Bilayer CrI${}_3$
• On the origin of magnetic anisotropy in two dimensional CrI${}_3$
• Magnetic ground state of semiconducting transition metal trichalcogenide monolayers
• Stacking tunable interlayer magnetism in bilayer CrI3
• Interplay between Kitaev interaction and single ion anisotropy in ferromagnetic CrI${}_3$ and CrGeTe${}_3$ monolayers
• Topological spin excitations in honeycomb ferromagnet CrI${}_3$
• Ferromagnetic van der Waals crystal VI3
• VI3 - a new layered ferromagnetic semiconductor
• Interplay between interlayer exchange and stacking in CrI${}_3$ bilayers
• Magnetic Two-Dimensional Chromium Trihalides: A Theoretical Perspective
• Bulk properties of van-der-Waals hard ferromagnet VI3
• VI3: a 2D Ising ferromagnet
• Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
• Band-filling effect on magnetic anisotropy using a Green's function method
• Magnetocrystalline Anisotropy of Fe-based $L{1}_0$ Alloys: Validity of Approximate Methods to Treat the Spin-Orbit Interaction
• Multiple ferromagnetic transitions and structural distortion in the van-der-Waals ferromagnet VI${}_3$ at ambient and finite pressures
• Tuning Magnetism in Layered Magnet VI${}_3$: A Theoretical Study
• Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions
• Pressure-induced huge increase of Curie temperature of the van der Waals ferromagnet VI3
• Self-consistently renormailzed spin-wave theory of layered ferromagnets on honeycomb lattice
• Role of non-locality in exchange-correlation for magnetic 2D van der Waals materials
• Origin of magnetic anisotropy in doped Ce${}_2$Co${}_{17}$ alloys
• Two-dimensional ferromagnetic spin-orbital excitations in the honeycomb VI${}_3$

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