Charge fluctuations in the intermediate-valence ground state of SmCoIn₅

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{
  "revision": 6, 
  "id": "1622", 
  "created": "2023-01-18T14:47:36.205276+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:gh-7e", 
    "status": "published", 
    "title": "Charge fluctuations in the intermediate-valence ground state of SmCoIn\u2085", 
    "mcid": "2023.111", 
    "license_addendum": null, 
    "_files": [
      {
        "description": "Archive file containing input/output  files and script needed to reproduce the simulation presented in the publication. More information in the README.txt file.", 
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        "checksum": "md5:972757f4745e21859dd22b0c4fc55cb5"
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        "description": "Description of the files contained in the data.tar.gz archive", 
        "key": "README.txt", 
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    ], 
    "owner": 53, 
    "_oai": {
      "id": "oai:materialscloud.org:1622"
    }, 
    "keywords": [
      "MARVEL", 
      "Heavy Fermions", 
      "DFT+U", 
      "Mixed valence"
    ], 
    "conceptrecid": "1621", 
    "is_last": true, 
    "references": [
      {
        "type": "Preprint", 
        "doi": "10.48550/arXiv.2307.13534", 
        "url": "https://doi.org/10.48550/arXiv.2307.13534", 
        "comment": "Preprint where the data is discussed", 
        "citation": "David W. Tam et.al, arXiv.2307.13534"
      }, 
      {
        "type": "Journal reference", 
        "doi": "10.1038/s42005-023-01339-1", 
        "url": "https://doi.org/10.1038/s42005-023-01339-1", 
        "comment": "Paper where the data is discussed", 
        "citation": "D.W. Tam et. al, Communication Physics, 6, 223 (2023)"
      }
    ], 
    "publication_date": "Jul 14, 2023, 13:45:19", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "1622", 
    "description": "The microscopic mechanism of heavy band formation, relevant for unconventional superconductivity in CeCoIn\u2085 and other Ce-based heavy fermion materials, depends strongly on the efficiency with which f electrons are delocalized from the rare earth sites and participate in a Kondo lattice. Replacing Ce\u00b3\u207a (4f 1, J = 5/2) with Sm\u00b3\u207a (4f 5, J = 5/2), we show that a combination of crystal field and on-site Coulomb repulsion causes SmCoIn\u2085 to exhibit a \u03937 ground state similar to CeCoIn5 with multiple f electrons. Remarkably, we also find that with this ground state, SmCoIn\u2085 exhibits a temperature-induced valence crossover consistent with a Kondo scenario, leading to increased delocalization of f holes below a temperature scale set by the crystal field, Tv \u2248 60 K. Our result provides evidence that in the case of many f electrons, the crystal field remains the most important tuning knob in controlling the efficiency of delocalization near a heavy fermion quantum critical point, and additionally clarifies that charge fluctuations are present and may play a generally important role in the ground state of \u201c115\u201d materials.", 
    "version": 1, 
    "contributors": [
      {
        "affiliations": [
          "Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Tam", 
        "givennames": "David W."
      }, 
      {
        "email": "nicola.colonna@psi.ch", 
        "affiliations": [
          "Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Colonna", 
        "givennames": "Nicola"
      }, 
      {
        "affiliations": [
          "Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Kumar", 
        "givennames": "Neeraj"
      }, 
      {
        "affiliations": [
          "Photon Science Division, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Piamonteze", 
        "givennames": "Cinthia"
      }, 
      {
        "affiliations": [
          "Photon Science Division, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Alarab", 
        "givennames": "Fatima"
      }, 
      {
        "affiliations": [
          "Photon Science Division, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Strocov", 
        "givennames": "Vladimir"
      }, 
      {
        "affiliations": [
          "Laboratory for Synchrotron Radiation - Condensed Matter, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Cervellino", 
        "givennames": "Antonio"
      }, 
      {
        "affiliations": [
          "Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Fennell", 
        "givennames": "Tom"
      }, 
      {
        "affiliations": [
          "Laboratory for Multiscale Materials Experiments, Paul Scherrer Institute, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Gawryluk", 
        "givennames": "Dariusz Jakub"
      }, 
      {
        "affiliations": [
          "Laboratory for Multiscale Materials Experiments, Paul Scherrer Institute, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Pomjakushina", 
        "givennames": "Ekaterina"
      }, 
      {
        "affiliations": [
          "Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Soh", 
        "givennames": "Yeong-Ah"
      }, 
      {
        "affiliations": [
          "Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen, Switzerland"
        ], 
        "familyname": "Kenzelmann", 
        "givennames": "Michele"
      }
    ], 
    "edited_by": 53
  }, 
  "updated": "2023-09-13T07:15:01.391825+00:00"
}