Magnetic properties of transition metal dichalcogenides-Fe/Ir(111) interfaces from first principles

Caciuc, Vasile; Atodiresei, Nicolae; Blügel, Stefan

doi:10.1103/physrevmaterials.2.084001

Cited by 6 publications

(2 citation statements)

References 66 publications

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“…We tilt the spins out of plane by several small angles. The energy difference with respect to the in-plane spin configuration as a function of the tilting angle θ is ∆E ≈ 27 2 Jθ 2 which allows us to determine the exchange parameter by fitting with the energy as a function of the tilting angle θ. The single-ion anisotropy K, and in-plane and out-of-plane DMI components can be determined by taking the energy difference between suitably specified spin configurations.…”

Section: Appendix C: Extracting Parameters From Model Hamiltonianmentioning

confidence: 99%

“…Due to the layered nature of TMDs, capping them with magnetic atoms seems to be natural in order to bring about novel properties. In a recent study of Fe/Ir(111) and TMD interface, it has been found that transition-metal atoms in the TMD monolayer acquire a metallic character and spin imbalance due to its chemisorption on Fe/Ir [27]. The large spin-orbit coupling (SOC) in monolayer TMDs [30] combined with structural symmetry breaking in mag-netic heterostructures can potentially lead to sizable Dzyaloshinskii-Moriya interaction (DMI) [31; 32].…”

Section: Introductionmentioning

confidence: 99%

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Spirals and skyrmions in antiferromagnetic triangular lattices

Fang,

Raeliarijaona,

Chang

et al. 2021

Preprint

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We study realizations of spirals and skyrmions in two-dimensional antiferromagnets with a triangular lattice on an inversion-symmetry-breaking substrate. As a possible material realization, we investigate the adsorption of transition-metal atoms (Cr, Mn, Fe, or Co) on a monolayer of MoS2, WS2, or WSe2 and obtain the exchange, anisotropy, and Dzyaloshinskii-Moriya interaction parameters using first-principles calculations. Using energy minimization and parallel-tempering Monte-Carlo simulations, we determine the magnetic phase diagrams for a wide range of interaction parameters. We find that skyrmion lattices can appear even with weak Dzyaloshinskii-Moriya interactions, but their stability is hindered by magnetic anisotropy. Our results suggest that Cr/MoS 2 , Fe/MoS 2 , and Fe/WSe 2 interfaces can host spin spirals formed from the 120°antiferromagnetic states. Our results further suggests that for other interfaces, such as Fe/MoS 2 , the Dzyaloshinskii-Moriya interaction is strong enough to drive the system into a three-sublattice skyrmion lattice in the presence of experimentally feasible external magnetic field.

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Section: Appendix C: Extracting Parameters From Model Hamiltonianmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Spirals and skyrmions in antiferromagnetic triangular lattices

Fang,

Raeliarijaona,

Chang

et al. 2021

Preprint

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Synthesis of emerging 2D layered magnetic materials

et al. 2021

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Plumbene on a Magnetic Substrate: A Combined Scanning Tunneling Microscopy and Density Functional Theory Study

et al. 2020

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As heavy analog of graphene, plumbene is a two-dimensional material with strong spin-orbit coupling effects. Using scanning tunneling microscopy (STM), we observe that Pb forms a flat honeycomb lattice on an Fe monolayer on Ir(111). In contrast, without the Fe layer, a c(2 × 4) structure of Pb on Ir(111) is found. We use density functional theory (DFT) calculations to rationalize these findings and analyze the impact of the hybridization on the plumbene band structure. In the unoccupied states the splitting of the Dirac cone by spin-orbit interaction is clearly observed while in the occupied states of the freestanding plumbene we find a band inversion that leads to the formation of a topologically non-trivial gap. Exchange splitting as mediated by the strong hybridization with the Fe layer drives a quantum spin Hall to quantum anomalous Hall state transition.

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Magnetic properties of transition metal dichalcogenides-Fe/Ir(111) interfaces from first principles

Cited by 6 publications

References 66 publications

Spirals and skyrmions in antiferromagnetic triangular lattices

Spirals and skyrmions in antiferromagnetic triangular lattices

Synthesis of emerging 2D layered magnetic materials

Plumbene on a Magnetic Substrate: A Combined Scanning Tunneling Microscopy and Density Functional Theory Study

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