March 8, 2021 Dataset Open Access

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

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    <dct:title>Data for: "First-principles modeling of plasmons in aluminum under ambient and extreme conditions"</dct:title>
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    <dcat:keyword>Warm dense matter</dcat:keyword>
    <dcat:keyword>TDDFT</dcat:keyword>
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    <dct:description>&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;</dct:description>
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