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 propos...

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Detalles Bibliográficos
Autores: Vos, Maarten, Grande, Pedro Luis
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:Brasil
Institución:Universidade Federal do Rio Grande do Sul (UFRGS)
Repositorio:Repositório Institucional da UFRGS
Idioma:inglés
OAI Identifier:oai:www.lume.ufrgs.br:10183/291892
Acceso en línea:http://hdl.handle.net/10183/291892
Access Level:acceso abierto
Palabra clave:Materiais dielétricos
Relaxacao
Aproximação de fase aleatória
Dielectric function
Relaxation
Dispersion
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spelling 2025-05-21T06:57:35Z20250022-3697http://hdl.handle.net/10183/291892001243195The 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.application/pdfengJournal of physics and chemistry of solids. Oxford. Vol. 198 (Mar. 2025), 112470, 6 p.Materiais dielétricosRelaxacaoAproximação de fase aleatóriaDielectric functionRelaxationDispersionRPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersionEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSVos, MaartenGrande, Pedro LuisTEXT001243195.pdf.txt001243195.pdf.txtExtracted Texttext/plain35679http://www.lume.ufrgs.br/bitstream/10183/291892/2/001243195.pdf.txtf827d80f1f4946f29e8bc4f1aedb3ab6MD52ORIGINAL001243195.pdfTexto completo (inglês)application/pdf1215537http://www.lume.ufrgs.br/bitstream/10183/291892/1/001243195.pdf2e3fe8a149c2163d035d1cc89a77a071MD5110183/2918922025-05-22 06:03:03.998186oai:www.lume.ufrgs.br:10183/291892Repositório InstitucionalPUBhttps://lume.ufrgs.br/oai/requestlume@ufrgs.bropendoar:2025-05-22T09:03:03Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false
dc.title.pt_BR.fl_str_mv RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
title RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
spellingShingle RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
Vos, Maarten
Materiais dielétricos
Relaxacao
Aproximação de fase aleatória
Dielectric function
Relaxation
Dispersion
title_short RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
title_full RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
title_fullStr RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
title_full_unstemmed RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
title_sort RPA dielectric functions : streamlined approach to relaxation effects, binding and high momentum dispersion
dc.creator.none.fl_str_mv Vos, Maarten
Grande, Pedro Luis
author Vos, Maarten
author_facet Vos, Maarten
Grande, Pedro Luis
author_role author
author2 Grande, Pedro Luis
author2_role author
dc.subject.por.fl_str_mv Materiais dielétricos
Relaxacao
Aproximação de fase aleatória
topic Materiais dielétricos
Relaxacao
Aproximação de fase aleatória
Dielectric function
Relaxation
Dispersion
dc.subject.eng.fl_str_mv Dielectric function
Relaxation
Dispersion
description 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.
publishDate 2025
dc.date.accessioned.fl_str_mv 2025-05-21T06:57:35Z
dc.date.issued.fl_str_mv 2025
dc.type.driver.fl_str_mv Estrangeiro
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dc.identifier.issn.pt_BR.fl_str_mv 0022-3697
dc.identifier.nrb.pt_BR.fl_str_mv 001243195
identifier_str_mv 0022-3697
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url http://hdl.handle.net/10183/291892
dc.language.iso.fl_str_mv eng
language eng
dc.relation.ispartof.pt_BR.fl_str_mv Journal of physics and chemistry of solids. Oxford. Vol. 198 (Mar. 2025), 112470, 6 p.
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