One dimensional edge localized YSR states in CrCl₃ on NbSe₂

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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>Cuperus, Jan P.</dc:creator>
  <dc:creator>Kole, Arnold H.</dc:creator>
  <dc:creator>Botello-Méndez, Andrés R.</dc:creator>
  <dc:creator>Zanolli, Zeila</dc:creator>
  <dc:creator>Vanmaekelbergh, Daniel</dc:creator>
  <dc:creator>Swart, Ingmar</dc:creator>
  <dc:date>2025-01-22</dc:date>
  <dc:description>Magnet/superconductor hybrid systems have been put forward as a platform for realizing topological superconductivity. We investigated the heterostructure of ferromagnetic monolayer CrCl₃ and superconducting NbSe₂. Using low-temperature scanning tunneling microscopy, we observe topologically trivial Yu-Shiba-Rusinov (YSR) states localized at the edge of CrCl₃ islands. DFT simulations reveal that the Cr atoms at the edge have an enhanced d-orbital DOS close to the Fermi energy. This leads to an exchange coupling between these atoms and the substrate that rationalizes the edge-localization of the YSR states.

This dataset contains the first-principles calculations performed on a nanoribbon of CrCl₃ on NbSe₂ and the associated notebooks used to generate figures from this data.</dc:description>
  <dc:identifier>https://materialscloud-archive-failover.cineca.it/record/2025.15</dc:identifier>
  <dc:identifier>doi:10.24435/materialscloud:1b-aa</dc:identifier>
  <dc:identifier>mcid:2025.15</dc:identifier>
  <dc:identifier>oai:materialscloud.org:2534</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>Superconductivity</dc:subject>
  <dc:subject>Van der Waals</dc:subject>
  <dc:subject>Magnetism</dc:subject>
  <dc:subject>Yu-Shiba-Rusinov</dc:subject>
  <dc:subject>Heterostructure</dc:subject>
  <dc:subject>H2020</dc:subject>
  <dc:subject>Horizon Europe</dc:subject>
  <dc:subject>PRACE</dc:subject>
  <dc:subject>density-functional theory</dc:subject>
  <dc:subject>AiiDA</dc:subject>
  <dc:subject>AiiDA-Siesta</dc:subject>
  <dc:subject>SIESTA</dc:subject>
  <dc:subject>NbSe2</dc:subject>
  <dc:subject>CrCl3</dc:subject>
  <dc:title>One dimensional edge localized YSR states in CrCl₃ on NbSe₂</dc:title>
  <dc:type>Dataset</dc:type>
</oai_dc:dc>