March 8, 2021 Dataset Open Access

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

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{
  "name": "Data for: \"First-principles modeling of plasmons in aluminum under ambient and extreme conditions\"", 
  "@type": "Dataset", 
  "url": "https://rodare.hzdr.de/record/663", 
  "keywords": [
    "Warm dense matter", 
    "TDDFT"
  ], 
  "@id": "https://doi.org/10.14278/rodare.663", 
  "datePublished": "2021-03-08", 
  "version": "1", 
  "identifier": "https://doi.org/10.14278/rodare.663", 
  "creator": [
    {
      "affiliation": "HZDR", 
      "@type": "Person", 
      "name": "Ramakrishna, Kushal", 
      "@id": "https://orcid.org/0000-0003-4211-2484"
    }, 
    {
      "affiliation": "HZDR", 
      "@type": "Person", 
      "name": "Cangi, Attila", 
      "@id": "https://orcid.org/0000-0001-9162-262X"
    }, 
    {
      "affiliation": "HZDR", 
      "@type": "Person", 
      "name": "Dornheim, Tobias", 
      "@id": "https://orcid.org/0000-0001-7293-6615"
    }, 
    {
      "affiliation": "HZDR", 
      "@type": "Person", 
      "name": "Vorberger, Jan", 
      "@id": "https://orcid.org/0000-0001-5926-9192"
    }, 
    {
      "affiliation": "Sandia National Laboratoroes", 
      "@type": "Person", 
      "name": "Baczewski, Andrew"
    }
  ], 
  "description": "<p>The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic<br>\nscattering diagnostics in many experiments. We highlight the utility of linear-response time-dependent density<br>\nfunctional theory (LR-TDDFT) as a first-principles framework for consistently modeling plasmon properties.<br>\nWe provide a comprehensive analysis of plasmons in aluminum from ambient to warm dense matter conditions<br>\nand assess typical properties such as the dynamical structure factor, the plasmon dispersion, and the plasmon<br>\nlifetime. We compare our results with scattering measurements and with other TDDFT results as well as models<br>\nsuch as the random phase approximation, the Mermin approach, and the dielectric function obtained using static<br>\nlocal field corrections of the uniform electron gas parametrized from path-integral Monte Carlo simulations. We<br>\nconclude that results for the plasmon dispersion and lifetime are inconsistent between experiment and theories<br>\nand that the common practice of extracting and studying plasmon dispersion relations is an insufficient procedure<br>\nto capture the complicated physics contained in the dynamic structure factor in its full breadth.<br>\n&nbsp;</p>", 
  "@context": "https://schema.org/", 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-31876"
  ], 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "distribution": [
    {
      "fileFormat": "xz", 
      "@type": "DataDownload", 
      "contentUrl": "https://rodare.hzdr.de/api/files/787701d4-f8e6-4f85-a179-3c66eb131715/Plasmon_RODARE.tar.xz"
    }
  ]
}