Local Symmetry Breaking in Skyrmion-Hosting Centrosymmetric Hexagonal Compounds

TL;DR

This study reveals that local inversion symmetry breaking in centrosymmetric hexagonal compounds can induce Dzyaloshinskii-Moriya interactions, explaining skyrmion stability in such materials through detailed structural analysis and theoretical calculations.

Contribution

It provides experimental evidence of local noncentrosymmetric structures in centrosymmetric compounds, supporting the role of local symmetry breaking in skyrmion formation.

Findings

Local SR structure is noncentrosymmetric P3m1

MR+LR structure remains centrosymmetric P63/mmc

Supports non-vanishing DMI due to local inversion symmetry breaking

Abstract

Dzyaloshinskii-Moriya interaction (DMI) plays a crucial role in stabilizing the exotic topologically stable skyrmion spin textures in the noncentrosymmetric crystals. The recent discovery of biskyrmions and skyrmions in the globally centrosymmetric crystals has raised debate about the role of the DMI in causing the spin textures, since DMI vanishes in such crystal structures. Theoretical studies, on the other hand, suggest non-vanishing DMI even if there is local inversion symmetry breaking in an otherwise globally centrosymmetric crystal structure. Motivated by such theoretical predictions, we present here the results of a systematic crystal structure study of two skyrmion-hosting Ni2In-type centrosymmetric hexagonal compounds, MnNiGa and MnPtGa, using the atomic pair distribution function (PDF) technique. Our result provides information about structural correlations in the short-range (SR), medium-range (MR) and long-range (LR) regimes simultaneously. The analysis of the experimental PDFs, obtained from high flux, high energy, and high Q synchrotron x-ray powder diffraction patterns, reveals that the local SR structure of both MnNiGa and MnPtGa compounds corresponds to the noncentrosymmetric trigonal space group P3m1, while the structure in the MR+LR regimes remains hexagonal in the centrosymmetric P63/mmc space group. These findings are also supported by theoretical DFT calculations. Our results, in conjunction with the previous theoretical predictions, provide a rationale for the genesis of skyrmions in centrosymmetric materials in terms of non-vanishing DMI due to local inversion symmetry breaking. We believe that our findings would encourage a systematic search of skyrmionic textures and other topological phenomena in a vast family of centrosymmetric materials.