March 8, 2021 Dataset Open Access

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

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{
  "DOI": "10.14278/rodare.663", 
  "version": "1", 
  "id": "663", 
  "type": "dataset", 
  "issued": {
    "date-parts": [
      [
        2021, 
        3, 
        8
      ]
    ]
  }, 
  "publisher": "Rodare", 
  "abstract": "<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>", 
  "title": "Data for: \"First-principles modeling of plasmons in aluminum under ambient and extreme conditions\"", 
  "author": [
    {
      "family": "Ramakrishna, Kushal"
    }, 
    {
      "family": "Cangi, Attila"
    }, 
    {
      "family": "Dornheim, Tobias"
    }, 
    {
      "family": "Vorberger, Jan"
    }, 
    {
      "family": "Baczewski, Andrew"
    }
  ]
}