Dataset Open Access
Ramakrishna, Kushal; Cangi, Attila; Dornheim, Tobias; Vorberger, Jan; Baczewski, Andrew
<?xml version='1.0' encoding='utf-8'?> <resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd"> <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"><p>The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic<br> scattering diagnostics in many experiments. We highlight the utility of linear-response time-dependent density<br> functional theory (LR-TDDFT) as a first-principles framework for consistently modeling plasmon properties.<br> We provide a comprehensive analysis of plasmons in aluminum from ambient to warm dense matter conditions<br> and assess typical properties such as the dynamical structure factor, the plasmon dispersion, and the plasmon<br> lifetime. We compare our results with scattering measurements and with other TDDFT results as well as models<br> such as the random phase approximation, the Mermin approach, and the dielectric function obtained using static<br> local field corrections of the uniform electron gas parametrized from path-integral Monte Carlo simulations. We<br> conclude that results for the plasmon dispersion and lifetime are inconsistent between experiment and theories<br> and that the common practice of extracting and studying plasmon dispersion relations is an insufficient procedure<br> to capture the complicated physics contained in the dynamic structure factor in its full breadth.<br> &nbsp;</p></description> </descriptions> </resource>
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