Unveiling excitons in two-dimensional β -pnictogens.

Autor: Guassi MR; Faculty of Applied Technology and Social Science, Brasília Unified Education Center, Brasília, 70790-075, DF, Brazil., Besse R; Institute of Physics, University of Brasília, Brasília, DF, 70919-970, Brazil., Piotrowski MJ; Department of Physics, Federal University of Pelotas, PO Box 354, Pelotas, RS, 96010-900, Brazil., C Rêgo CR; Karlsruhe Institute of Technology (KIT), Institute of Nanotechnology Hermann-von-Helmholtz-Platz, 76344, Eggenstein-Leopoldshafen, Germany. celso.rego@kit.edu., Guedes-Sobrinho D; Chemistry Department, Federal University of Paraná, Curitiba, 81531-980, Brazil., da Rosa AL; Instituto de Física, Universidade Federal de Goiás, Campus Samambaia, Goiânia, GO, 74690-900, Brazil., Cavalheiro Dias A; Institute of Physics and International Center of Physics, University of Brasília, Brasília, DF, 70919-970, Brazil.
Jazyk: angličtina
Zdroj: Scientific reports [Sci Rep] 2024 May 22; Vol. 14 (1), pp. 11710. Date of Electronic Publication: 2024 May 22.
DOI: 10.1038/s41598-024-62094-z
Abstrakt: In this paper, we investigate the optical, electronic, vibrational, and excitonic properties of four two-dimensional β -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.
(© 2024. The Author(s).)
Databáze: MEDLINE
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