March 30, 2023 Dataset Open Access

Ramakrishna, Kushal; Lokamani, Mani; Baczweski, Andrew D.; Vorberger, Jan; Cangi, Attila

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{
  "description": "<p>Simulation and literature data on the electrical and thermal conductivity of iron. The raw simulation data was generated from time-dependent density functional theory calculations. Post-processing was applied to obtain the transport properties (conductivities) as described in the associated journal publication. The literature data was compiled from available publication data as referenced in the associated journal publication.</p>", 
  "identifier": "https://doi.org/10.14278/rodare.2207", 
  "distribution": [
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/07798aeb-5ae5-4d75-9c26-e43ad6c20b37/Iron_earthcore_TDDFT_PRB_Rodare.tar.xz", 
      "@type": "DataDownload", 
      "fileFormat": "xz"
    }
  ], 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "@context": "https://schema.org/", 
  "url": "https://rodare.hzdr.de/record/2207", 
  "name": "Data publication: Electrical Conductivity of Iron in Earth's Core from Microscopic Ohm's Law", 
  "datePublished": "2023-03-30", 
  "creator": [
    {
      "@id": "https://orcid.org/0000-0003-4211-2484", 
      "name": "Ramakrishna, Kushal", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "@id": "https://orcid.org/0000-0001-8679-5905", 
      "name": "Lokamani, Mani", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "name": "Baczweski, Andrew D.", 
      "affiliation": "Sandia National Laboratories", 
      "@type": "Person"
    }, 
    {
      "@id": "https://orcid.org/0000-0001-5926-9192", 
      "name": "Vorberger, Jan", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "@id": "https://orcid.org/0000-0001-9162-262X", 
      "name": "Cangi, Attila", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }
  ], 
  "keywords": [
    "transport properties", 
    "time-dependent density functional theory", 
    "Kubo-Greenwood", 
    "electrical conductivity", 
    "thermal conductivity", 
    "electronic structure theory", 
    "materials science"
  ], 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-36755"
  ], 
  "@type": "Dataset", 
  "@id": "https://doi.org/10.14278/rodare.2207"
}