March 30, 2023 Dataset Open Access

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

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  <identifier identifierType="DOI">10.14278/rodare.2207</identifier>
  <creators>
    <creator>
      <creatorName>Ramakrishna, Kushal</creatorName>
      <givenName>Kushal</givenName>
      <familyName>Ramakrishna</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4211-2484</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Lokamani, Mani</creatorName>
      <givenName>Mani</givenName>
      <familyName>Lokamani</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-8679-5905</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Baczweski, Andrew D.</creatorName>
      <givenName>Andrew D.</givenName>
      <familyName>Baczweski</familyName>
      <affiliation>Sandia National Laboratories</affiliation>
    </creator>
    <creator>
      <creatorName>Vorberger, Jan</creatorName>
      <givenName>Jan</givenName>
      <familyName>Vorberger</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5926-9192</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Cangi, Attila</creatorName>
      <givenName>Attila</givenName>
      <familyName>Cangi</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-9162-262X</nameIdentifier>
      <affiliation>HZDR</affiliation>
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  </creators>
  <titles>
    <title>Data publication: Electrical Conductivity of Iron in Earth's Core from Microscopic Ohm's Law</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2023</publicationYear>
  <subjects>
    <subject>transport properties</subject>
    <subject>time-dependent density functional theory</subject>
    <subject>Kubo-Greenwood</subject>
    <subject>electrical conductivity</subject>
    <subject>thermal conductivity</subject>
    <subject>electronic structure theory</subject>
    <subject>materials science</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2023-03-30</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/2207</alternateIdentifier>
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    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsReferencedBy">10.1103/PhysRevB.107.115131</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsReferencedBy">10.48550/arXiv.2203.06025</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-36755</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-34381</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.2206</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;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.&lt;/p&gt;</description>
    <description descriptionType="Other">{"references": ["10.1103/PhysRevB.107.115131"]}</description>
  </descriptions>
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