Spin-correlations and magnetic structure in an Fe monolayer on 5d transition metal surfaces

Abstract

We present a detailed first principles study on the magnetic structure of an Fe monolayer on different surfaces of 5d transition metals. We use the spin-cluster expansion technique to obtain parameters of a spin model, and predict the possible magnetic ground state of the studied systems by employing the mean field approach and in certain cases by spin dynamics calculations. We point out that the number of shells considered for the isotropic exchange interactions plays a crucial role in the determination of the magnetic ground state. In the case of Ta substrate we demonstrate that the out-of-plane relaxation of the Fe monolayer causes a transition from ferromagnetic to antiferromagnetic ground state. We examine the relative magnitude of nearest neighbour Dzyaloshinskii-Moriya (D) and isotropic (J) exchange interactions in order to get insight into the nature of magnetic pattern formations. For the Fe/Os(0001) system we calculate a very large D/J ratio, correspondingly, a spin spiral ground state. We find that, mainly through the leading isotropic exchange and Dzyaloshinskii-Moriya interactions, the inward layer relaxation substantially influences the magnetic ordering of the Fe monolayer. For the Fe/Re(0001) system characterized by large antiferromagnetic interactions we also determine the chirality of the $120^{\circ }$ Néel-type ground state.

15 pages, 8 figures, 2 tables

References in corpus (4)

• First principles calculation of spin-interactions and magnetic ground states of Cr trimers on Au(111)
• Magnetic Phase Control in Monolayer Films by Substrate Tuning
• Spin-correlations and magnetic structure in an Fe monolayer on 5d transition metal surfaces
• Magnetic phase stability of monolayers: Fe on Ta(x)W(1-x) (001) random alloy as a case study

Cited by in corpus (12)

• Hund's rule-driven Dzyaloshinskii-Moriya interaction at 3d-5d interfaces
• Formation of magnetic skyrmions with tunable properties in PdFe bilayer deposited on Ir(111)
• The microscopic origin of DMI in magnetic bilayers and prediction of giant DMI in new bilayers
• Magnetism of a Co monolayer on Pt(111) capped by overlayers of $5d$ elements: a spin-model study
• Magnetic phase diagram of an Fe monolayer on W(110) and Ta(110) surfaces based on ab initio calculations
• Spin-correlations and magnetic structure in an Fe monolayer on 5d transition metal surfaces
• Coupling of Coexisting Non-Collinear Spin States in the Fe Monolayer on Re(0001)
• Temperature-induced increase of spin spiral periods
• Search for large topological gaps in atomic spin chains on proximitized superconducting heavy metal layers
• A functional calculus for the magnetization dynamics
• Magnetic correlations beyond the Heisenberg model in an Fe monolayer on Rh(001)
• Ultrafast dynamics of moments in bulk ferromagnets