Journal Article

FZJ-2024-03354

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Origin of incommensurate magnetic order in the R AlSi magnetic Weyl semimetals ( R = Pr ,   Nd ,   Sm )

Bouaziz, J. (Corresponding author)FZJ* ; Bihlmayer, G.FZJ* ; Patrick, C. E. ; Staunton, J. B. ; Blügel, S.FZJ*

2024
APS Woodbury, NY

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Please use a persistent id in citations: doi:10.1103/PhysRevB.109.L201108  doi:10.34734/FZJ-2024-03354

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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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)

Research Program(s):

1. 5211 - Topological Matter (POF4-521) (POF4-521)
2. SFB 1238 C01 - Strukturinversionsasymmetrische Materie und Spin-Orbit-Phänomene mittels ab initio (C01) (319898210) (319898210)
3. 3D MAGiC - Three-dimensional magnetization textures: Discovery and control on the nanoscale (856538) (856538)

Appears in the scientific report 2024

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