Paramagnetic half-moon shaped diffuse scattering arising from 3D magnetic frustration

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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Natsch, Nelly</dc:creator>
  <dc:creator>Tošić, Tara</dc:creator>
  <dc:creator>Soh, Jian-Rui</dc:creator>
  <dc:creator>Spaldin, Nicola</dc:creator>
  <dc:date>2025-05-07</dc:date>
  <dc:description>We use spin dynamics simulations to determine the origin of the unusual correlated diffuse scattering, characterised by half-moon shapes bridging the magnetic Bragg peaks, observed in the polarised elastic neutron scattering from manganese tungstate, MnWO₄. We first fit a Heisenberg Hamiltonian with twelve nearest-neighbour exchange interactions and single-ion anisotropy to the experimental ground-state magnon dispersion. We then show via spin dynamics simulations that our model Hamiltonian both reproduces the experimentally observed half-moon features and captures their persistence into the paramagnetic regime. Moreover, we identify the three-dimensional, competing antiferromagnetic interactions driving this behavior. Our work complements earlier studies of half-moon-shaped signatures in pyrochlore and triangular structures, by providing insight into their origin in a zigzag chain geometry with three-dimensional competing exchange interactions.</dc:description>
  <dc:identifier>https://materialscloud-archive-failover.cineca.it/record/2025.71</dc:identifier>
  <dc:identifier>doi:10.24435/materialscloud:kp-8f</dc:identifier>
  <dc:identifier>mcid:2025.71</dc:identifier>
  <dc:identifier>oai:materialscloud.org:2662</dc:identifier>
  <dc:language>en</dc:language>
  <dc:publisher>Materials Cloud</dc:publisher>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>ERC</dc:subject>
  <dc:subject>diffuse scattering</dc:subject>
  <dc:subject>spin dynamics</dc:subject>
  <dc:subject>Horizon Europe</dc:subject>
  <dc:subject>UppASD</dc:subject>
  <dc:title>Paramagnetic half-moon shaped diffuse scattering arising from 3D magnetic frustration</dc:title>
  <dc:type>Dataset</dc:type>
</oai_dc:dc>