Data for: "First-principles modeling of plasmons in aluminum under ambient and extreme conditions"

DOI

The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic scattering diagnostics in many experiments. We highlight the utility of linear-response time-dependent density functional theory (LR-TDDFT) as a first-principles framework for consistently modeling plasmon properties. We provide a comprehensive analysis of plasmons in aluminum from ambient to warm dense matter conditions and assess typical properties such as the dynamical structure factor, the plasmon dispersion, and the plasmon lifetime. We compare our results with scattering measurements and with other TDDFT results as well as models such as the random phase approximation, the Mermin approach, and the dielectric function obtained using static local field corrections of the uniform electron gas parametrized from path-integral Monte Carlo simulations. We conclude that results for the plasmon dispersion and lifetime are inconsistent between experiment and theories and that the common practice of extracting and studying plasmon dispersion relations is an insufficient procedure to capture the complicated physics contained in the dynamic structure factor in its full breadth.  

Identifier
DOI https://doi.org/10.14278/rodare.663
Related Identifier https://www.hzdr.de/publications/Publ-31876
Related Identifier https://www.hzdr.de/publications/Publ-31868
Related Identifier https://doi.org/10.14278/rodare.331
Related Identifier https://rodare.hzdr.de/communities/rodare
Metadata Access https://rodare.hzdr.de/oai2d?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:rodare.hzdr.de:663
Provenance
Creator Ramakrishna, Kushal ORCID logo; Cangi, Attila (ORCID: 0000-0001-9162-262X); Dornheim, Tobias ORCID logo; Vorberger, Jan ORCID logo; Baczewski, Andrew
Publisher Rodare
Publication Year 2021
Rights Creative Commons Attribution 4.0 International; Open Access; https://creativecommons.org/licenses/by/4.0/legalcode; info:eu-repo/semantics/openAccess
OpenAccess true
Contact https://rodare.hzdr.de/support
Representation
Resource Type Dataset
Version 1
Discipline Life Sciences; Natural Sciences; Engineering Sciences