March 8, 2021 Dataset Open Access

Ramakrishna, Kushal; Cangi, Attila; Dornheim, Tobias; Vorberger, Jan; Baczewski, Andrew

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  <identifier identifierType="DOI">10.14278/rodare.663</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>Cangi, Attila</creatorName>
      <givenName>Attila</givenName>
      <familyName>Cangi</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-9162-262X</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Dornheim, Tobias</creatorName>
      <givenName>Tobias</givenName>
      <familyName>Dornheim</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-7293-6615</nameIdentifier>
      <affiliation>HZDR</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>Baczewski, Andrew</creatorName>
      <givenName>Andrew</givenName>
      <familyName>Baczewski</familyName>
      <affiliation>Sandia National Laboratoroes</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Data for: "First-principles modeling of plasmons in aluminum under ambient and extreme conditions"</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2021</publicationYear>
  <subjects>
    <subject>Warm dense matter</subject>
    <subject>TDDFT</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2021-03-08</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/663</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-31876</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-31868</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.331</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier>
  </relatedIdentifiers>
  <version>1</version>
  <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;The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic&lt;br&gt;
scattering diagnostics in many experiments. We highlight the utility of linear-response time-dependent density&lt;br&gt;
functional theory (LR-TDDFT) as a first-principles framework for consistently modeling plasmon properties.&lt;br&gt;
We provide a comprehensive analysis of plasmons in aluminum from ambient to warm dense matter conditions&lt;br&gt;
and assess typical properties such as the dynamical structure factor, the plasmon dispersion, and the plasmon&lt;br&gt;
lifetime. We compare our results with scattering measurements and with other TDDFT results as well as models&lt;br&gt;
such as the random phase approximation, the Mermin approach, and the dielectric function obtained using static&lt;br&gt;
local field corrections of the uniform electron gas parametrized from path-integral Monte Carlo simulations. We&lt;br&gt;
conclude that results for the plasmon dispersion and lifetime are inconsistent between experiment and theories&lt;br&gt;
and that the common practice of extracting and studying plasmon dispersion relations is an insufficient procedure&lt;br&gt;
to capture the complicated physics contained in the dynamic structure factor in its full breadth.&lt;br&gt;
&amp;nbsp;&lt;/p&gt;</description>
  </descriptions>
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