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Unveiling excitons in two-dimensional $$\beta$$ β -pnictogens

التفاصيل البيبلوغرافية
العنوان: Unveiling excitons in two-dimensional $$\beta$$ β -pnictogens
المؤلفون: Marcos R. Guassi, Rafael Besse, Maurício J. Piotrowski, Celso R. C. Rêgo, Diego Guedes-Sobrinho, Andréia Luisa da Rosa, Alexandre Cavalheiro Dias
المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-10 (2024)
بيانات النشر: Nature Portfolio, 2024.
سنة النشر: 2024
المجموعة: LCC:Medicine
LCC:Science
مصطلحات موضوعية: 2D materials, Pnictogens, Excitons, Density-functional theory, Bethe–Salpeter equation, Medicine, Science
الوصف: Abstract In this paper, we investigate the optical, electronic, vibrational, and excitonic properties of four two-dimensional $$\beta$$ 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.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2045-2322
Relation: https://doaj.org/toc/2045-2322
DOI: 10.1038/s41598-024-62094-z
URL الوصول: https://doaj.org/article/94631f87f4b14248b9cf9373406e5113
رقم الأكسشن: edsdoj.94631f87f4b14248b9cf9373406e5113
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:20452322
DOI:10.1038/s41598-024-62094-z