Crystallization kinetics of nanoconfined GeTe slabs in GeTe/TiTe-like superlattices for phase change memories

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{
  "id": "2074", 
  "updated": "2024-02-12T11:11:59.950972+00:00", 
  "metadata": {
    "version": 1, 
    "contributors": [
      {
        "givennames": "Debdipto", 
        "affiliations": [
          "Department of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milan, Italy"
        ], 
        "familyname": "Acharya"
      }, 
      {
        "givennames": "Omar", 
        "affiliations": [
          "Department of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milan, Italy"
        ], 
        "familyname": "Abou El Kheir"
      }, 
      {
        "givennames": "Davide", 
        "affiliations": [
          "Department of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milan, Italy"
        ], 
        "familyname": "Campi"
      }, 
      {
        "givennames": "Marco", 
        "affiliations": [
          "Department of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milan, Italy"
        ], 
        "email": "marco.bernasconi@unimib.it", 
        "familyname": "Bernasconi"
      }
    ], 
    "title": "Crystallization kinetics of nanoconfined GeTe slabs in GeTe/TiTe-like superlattices for phase change memories", 
    "_oai": {
      "id": "oai:materialscloud.org:2074"
    }, 
    "keywords": [
      "Neural Network Potential", 
      "Crystallization", 
      "Phase Change Memories", 
      "Phase Change Materials", 
      "Molecular Dynamics Simulation", 
      "GeTe", 
      "Nanoconfinement", 
      "Superlattices", 
      "Neuromophic Computing"
    ], 
    "publication_date": "Feb 09, 2024, 09:19:47", 
    "_files": [
      {
        "key": "600.xyz", 
        "description": "Trajectory file of the confined crystallization at 600 K. The file contains the atomic positions and an atomic label that allows identifying crystalline atoms. The label (\"Crys_label\") is equal to one for crystalline atoms and is equal to zero for non-crystalline atoms.", 
        "checksum": "md5:c376f49409b998cd488e6c77ec78a5ac", 
        "size": 105597066
      }, 
      {
        "key": "600.ovito", 
        "description": "Ovito session state with the same settings used for the visualization and for the cluster analysis used for the trajectory at 600 K.", 
        "checksum": "md5:72a1a2150730a8b469bba6192d53ecc0", 
        "size": 216474
      }, 
      {
        "key": "700.xyz", 
        "description": "Trajectory file of the confined crystallization at 700 K. The file contains the atomic positions and an atomic label that allows identifying crystalline atoms. The label (\"Crys_label\") is equal to one for crystalline atoms and is equal to zero for non-crystalline atoms.", 
        "checksum": "md5:d146286cf08c56bc0ccb2439e1ea1fda", 
        "size": 105566726
      }, 
      {
        "key": "700.ovito", 
        "description": "Ovito session state with the same settings used for the visualization and for the cluster analysis used for the trajectory at 700 K.", 
        "checksum": "md5:f7739671f540a8ebe0754bd03ce34def", 
        "size": 377830
      }, 
      {
        "key": "README.pdf", 
        "description": "Instructions to open an ovito state file", 
        "checksum": "md5:cd951386525ebad87fb98d7e2ae7cc40", 
        "size": 543685
      }
    ], 
    "references": [
      {
        "comment": "Paper in which the method is described", 
        "doi": "10.1038/s41598-024-53192-z", 
        "citation": "D. Acharya, O. Abou El Kheir, D. Campi, M. Bernasconi, Sci Rep 14, 3224 (2024)", 
        "type": "Journal reference"
      }
    ], 
    "description": "Superlattices made of alternating blocks of the phase change compound Sb\u2082Te\u2083 and of TiTe\u2082 confining layers have been recently proposed for applications in neuromorphic devices. The Sb\u2082Te\u2083/TiTe\u2082 heterostructure allows for a better control of multiple intermediate resistance states and for a lower drift with time of the electrical resistance of the amorphous phase. However, Sb\u2082Te\u2083 suffers from a low data retention due to a low crystallization temperature T<sub>x</sub>. Substituting Sb\u2082Te\u2083 with a phase change compound with a higher T<sub>x</sub>, such as GeTe, seems an interesting option in this respect. Nanoconfinement might, however, alters the crystallization kinetics with respect to the bulk. In this work, we investigated the crystallization process of GeTe nanoconfined in geometries mimicking GeTe/TiTe\u2082 superlattices by means of molecular dynamics simulations with a machine learning potential. The simulations reveal that nanoconfinement induces a mild reduction in the crystal growth velocities which would not hinder the application of GeTe/TiTe\u2082 heterostructures in neuromorphic devices with superior data retention.", 
    "status": "published", 
    "license": "Creative Commons Attribution 4.0 International", 
    "conceptrecid": "2073", 
    "is_last": false, 
    "mcid": "2024.25", 
    "edited_by": 576, 
    "id": "2074", 
    "owner": 1200, 
    "license_addendum": "except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.", 
    "doi": "10.24435/materialscloud:5k-vh"
  }, 
  "revision": 12, 
  "created": "2024-02-05T10:20:14.709354+00:00"
}