RPA Dielectric functions: Streamlined approach to relaxation effects, binding and high momentum dispersion

The implementation of dielectric functions based on the Random Phase Approximation (RPA), including those by Lindhard, Kaneko, and Levine-Louie, is presented systematically, incorporating the effects of electron relaxation (finite width) and lattice interactions. A straightforward approach is proposed to introduce electron relaxation time and binding effects without needing Mermin corrections or Kramers–Kronig (KK) relations. This method yields the same dielectric function as the Mermin-corrected Lindhard and Kaneko models in several limiting cases (optical, high momentum transfer, and static limits). Moreover, the result adheres to the Bethe and F sum rules and the real and imaginary part are Kramers–Kronig pairs. Still, it shows some variation at intermediate energy and momentum transfer. Additionally, the description of dispersion at high momentum transfer is refined to account for relativistic effects. A small library containing the implementation of these dielectric functions is provided as supplementary material. • A unified description of several RPA-based dielectric functions is given. • Relaxation (width) is incorporated in a way that does not require a Mermin renormalization. • Modified dispersion is introduced that is, at high-momentum transfer, consistent with relativity.

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Publication Details

Journal
Journal of Physics and Chemistry of Solids
Published
2024-11-23
DOI
https://doi.org/10.1016/j.jpcs.2024.112470
Citations
2
Primary Topic
Muon and positron interactions and applications
Type
article
Field-Weighted Citation Impact
0.54

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article

RPA Dielectric functions: Streamlined approach to relaxation effects, binding and high momentum dispersion

P. L. Grande, M. Vos
2 citations
Journal of Physics and Chemistry of Solids
Muon and positron interactions and applications
0.54
article

RPA Dielectric functions: Streamlined approach to relaxation effects, binding and high momentum dispersion

P. L. Grande, M. Vos
article en
2 citations

Abstract

The implementation of dielectric functions based on the Random Phase Approximation (RPA), including those by Lindhard, Kaneko, and Levine-Louie, is presented systematically, incorporating the effects of electron relaxation (finite width) and lattice interactions. A straightforward approach is proposed to introduce electron relaxation time and binding effects without needing Mermin corrections or Kramers–Kronig (KK) relations. This method yields the same dielectric function as the Mermin-corrected Lindhard and Kaneko models in several limiting cases (optical, high momentum transfer, and static limits). Moreover, the result adheres to the Bethe and F sum rules and the real and imaginary part are Kramers–Kronig pairs. Still, it shows some variation at intermediate energy and momentum transfer. Additionally, the description of dispersion at high momentum transfer is refined to account for relativistic effects. A small library containing the implementation of these dielectric functions is provided as supplementary material. • A unified description of several RPA-based dielectric functions is given. • Relaxation (width) is incorporated in a way that does not require a Mermin renormalization. • Modified dispersion is introduced that is, at high-momentum transfer, consistent with relativity.

Journal of Physics and Chemistry of SolidsVol. 198
Australian National University (AU), Universidade Federal do Rio Grande do Sul (BR)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Financiadora de Estudos e Projetos
Openalex Percentile: Top 38%
Muon and positron interactions and applications
0.54
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RPA Dielectric functions: Streamlined approach to relaxation effects, binding and high momentum dispersion — P. L. Grande, M. Vos · Journal of Physics and Chemistry of Solids (2024) | TGRS Research Map | TGRS