One dimensional edge localized YSR states in CrCl₃ on NbSe₂


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  "id": "2534", 
  "created": "2025-01-17T01:30:18.456561+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:1b-aa", 
    "status": "published", 
    "title": "One dimensional edge localized YSR states in CrCl\u2083 on NbSe\u2082", 
    "mcid": "2025.15", 
    "license_addendum": null, 
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    "keywords": [
      "Superconductivity", 
      "Van der Waals", 
      "Magnetism", 
      "Yu-Shiba-Rusinov", 
      "Heterostructure", 
      "H2020", 
      "Horizon Europe", 
      "PRACE", 
      "density-functional theory", 
      "AiiDA", 
      "AiiDA-Siesta", 
      "SIESTA", 
      "NbSe2", 
      "CrCl3"
    ], 
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        "comment": "Paper where this dataset is discussed", 
        "citation": "J.P. Cuperus, A.H. Kole, A.R. Botello-M\u00e9ndez, Z. Zanolli, D. Vanmaekelbergh, I. Swart, npj Quantum Materials (submitted)"
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        "citation": "Jos\u00e9 M Soler, Emilio Artacho, Julian D Gale, Alberto Garc\u00eda, Javier Junquera, Pablo Ordej\u00f3n, Daniel S\u00e1nchez-Portal, J. Phys.: Condens. Matter 14, 2745-2779 (2002)"
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        "comment": "Paper in which the TB2J method is introduced which was used to compute the exchange interactions in the paper", 
        "citation": "Xu He, Nicole Helbig, Matthieu J. Verstraete, Eric Bousquet, Computer Physics Communications 264, 107938 (2021)"
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        "citation": "Charles R. Harris, K. Jarrod Millman, St\u00e9fan J. van der Walt et al., Nature 585, 357-362 (2020)"
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        "citation": "J. D. Hunter, Computing in Science & Engineering 9, 90-95 (2007)"
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    ], 
    "publication_date": "Jan 22, 2025, 15:18:38", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "2534", 
    "description": "Magnet/superconductor hybrid systems have been put forward as a platform for realizing topological superconductivity. We investigated the heterostructure of ferromagnetic monolayer CrCl\u2083 and superconducting NbSe\u2082. Using low-temperature scanning tunneling microscopy, we observe topologically trivial Yu-Shiba-Rusinov (YSR) states localized at the edge of CrCl\u2083 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.\n\nThis dataset contains the first-principles calculations performed on a nanoribbon of CrCl\u2083 on NbSe\u2082 and the associated notebooks used to generate figures from this data.", 
    "version": 1, 
    "contributors": [
      {
        "affiliations": [
          "Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, The Netherlands"
        ], 
        "familyname": "Cuperus", 
        "givennames": "Jan P."
      }, 
      {
        "email": "materialscloud@ahkole.nl", 
        "affiliations": [
          "Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, The Netherlands"
        ], 
        "familyname": "Kole", 
        "givennames": "Arnold H."
      }, 
      {
        "affiliations": [
          "Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, The Netherlands"
        ], 
        "familyname": "Botello-M\u00e9ndez", 
        "givennames": "Andr\u00e9s R."
      }, 
      {
        "email": "z.zanolli@uu.nl", 
        "affiliations": [
          "Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, The Netherlands"
        ], 
        "familyname": "Zanolli", 
        "givennames": "Zeila"
      }, 
      {
        "affiliations": [
          "Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, The Netherlands"
        ], 
        "familyname": "Vanmaekelbergh", 
        "givennames": "Daniel"
      }, 
      {
        "affiliations": [
          "Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, The Netherlands"
        ], 
        "familyname": "Swart", 
        "givennames": "Ingmar"
      }
    ], 
    "edited_by": 576
  }, 
  "updated": "2025-01-22T14:18:38.476493+00:00"
}