Tuning skyrmions in B20 compounds by 4d and 5d doping

Abstract

Skyrmion stabilization in novel magnetic systems with the B20 crystal structure is reported here, primarily based on theoretical results. The focus is on the effect of alloying on the $3d$ sublattice of the B20 structure by substitution of heavier $4d$ and $5d$ elements, with the ambition to tune the spin-orbit coupling and its influence on magnetic interactions. State-of-the-art methods based on density functional theory are used to calculate both isotropic and anisotropic exchange interactions. Significant enhancement of the Dzyaloshinskii-Moriya interaction is reported for $5d$-doped FeSi and CoSi, accompanied by a large modification of the spin stiffness and spiralization. Micromagnetic simulations coupled to atomistic spin-dynamics and ab initio magnetic interactions reveal the spin-spiral nature of the magnetic ground state and field-induced skyrmions for all these systems. Especially small skyrmions $\ensuremath{\sim}50\phantom{\rule{0.16em}{0ex}}\mathrm{nm}$ are predicted for ${\mathrm{Co}}_{0.75}{\mathrm{Os}}_{0.25}\mathrm{Si}$, compared to $\ensuremath{\sim}148\phantom{\rule{0.16em}{0ex}}\mathrm{nm}$ for ${\mathrm{Fe}}_{0.75}{\mathrm{Co}}_{0.25}\mathrm{Si}$. Convex-hull analysis suggests that all B20 compounds considered here are structurally stable at elevated temperatures and should be possible to synthesize. This prediction is confirmed experimentally by synthesis and structural analysis of the Ru-doped CoSi systems discussed here, both in powder and in single-crystal forms.