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Origin of incommensurate magnetic order in the RAlSi magnetic Weyl semimetals (R=Pr, Nd, Sm)

Juba Bouaziz1,*, Gustav Bihlmayer1, Christopher E. Patrick2, Julie B. Staunton3, and Stefan Blügel1

  • 1Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich & JARA, D-52425 Jülich, Germany
  • 2Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom
  • 3Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom

  • *j.bouaziz@fz-juelich.de

Phys. Rev. B 109, L201108 – Published 8 May, 2024

DOI: https://doi.org/10.1103/PhysRevB.109.L201108

Abstract

We investigate rare-earth magnetic Weyl semimetals through first-principles simulations, analyzing the connection between incommensurate magnetic order and the presence of Weyl nodes in the electronic band structure. Focusing on PrAlSi, NdAlSi, and SmAlSi, we demonstrate that the reported helical ordering does not originate from the nesting of topological features at the Fermi surface or the Dzyaloshinskii-Moriya interaction. Instead, the helical order arises from frustrated isotropic short-range superexchange between the 4f moments facilitated by pd hybridization with the main group elements. Employing a spin Hamiltonian with isotropic exchange and single-ion anisotropy we replicate the experimentally observed helical modulation.

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