October 6, 2023 Dataset Open Access

Ramakrishna, Kushal; Lokamani, Mani; Baczewski, Andrew; Vorberger, Jan; Cangi, Attila

DataCite XML Export

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  <identifier identifierType="DOI">10.14278/rodare.2499</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>
    </creator>
    <creator>
      <creatorName>Lokamani, Mani</creatorName>
      <givenName>Mani</givenName>
      <familyName>Lokamani</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-8679-5905</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Baczewski, Andrew</creatorName>
      <givenName>Andrew</givenName>
      <familyName>Baczewski</familyName>
    </creator>
    <creator>
      <creatorName>Vorberger, Jan</creatorName>
      <givenName>Jan</givenName>
      <familyName>Vorberger</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5926-9192</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Cangi, Attila</creatorName>
      <givenName>Attila</givenName>
      <familyName>Cangi</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-9162-262X</nameIdentifier>
    </creator>
  </creators>
  <titles>
    <title>Data publication: Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2023</publicationYear>
  <subjects>
    <subject>Time-dpenedent density functional theory</subject>
    <subject>Electronic structure</subject>
    <subject>Electrical conductivity</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2023-10-06</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/2499</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="References">10.1088/2516-1075/acfd75</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-37622</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-37621</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.2498</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 high-pressure 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>
  </descriptions>
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