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Unveiling excitons in two-dimensional β -pnictogens

Guassi, Marcos R ; Besse, Rafael ; Piotrowski, Maurício J ; C Rêgo, Celso R ; Guedes-Sobrinho, Diego ; da Rosa, Andréia Luisa ; Cavalheiro Dias, Alexandre

Scientific reports, 2024-05, Vol.14 (1), p.11710-11710, Article 11710 [Periódico revisado por pares]

England: Nature Publishing Group

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  • Título:
    Unveiling excitons in two-dimensional β -pnictogens
  • Autor: Guassi, Marcos R ; Besse, Rafael ; Piotrowski, Maurício J ; C Rêgo, Celso R ; Guedes-Sobrinho, Diego ; da Rosa, Andréia Luisa ; Cavalheiro Dias, Alexandre
  • Assuntos: Polarization ; Solar energy
  • É parte de: Scientific reports, 2024-05, Vol.14 (1), p.11710-11710, Article 11710
  • Notas: ObjectType-Article-1
    SourceType-Scholarly Journals-1
    ObjectType-Feature-2
    content type line 23
  • Descrição: In this paper, we investigate the optical, electronic, vibrational, and excitonic properties of four two-dimensional -pnictogen materials-nitrogenene, phosphorene, arsenene, and antimonene-via density functional theory calculations and the Bethe-Salpeter equation. These materials possess indirect gaps with significant exciton binding energies, demonstrating isotropic behavior under circular light polarization and anisotropic behavior under linear polarization by absorbing light within the visible solar spectrum (except for nitrogenene). Furthermore, we observed that Raman frequencies red-shift in heavier pnictogen atoms aligning with experimental observations; simultaneously, quasi-particle effects notably influence the linear optical response intensively. These monolayers' excitonic effects lead to optical band gaps optimized for solar energy harvesting, positioning them as promising candidates for advanced optoelectronic device applications.
  • Editor: England: Nature Publishing Group
  • Idioma: Inglês
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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