Unveiling excitons in two-dimensional β -pnictogens.

ABSTRACT: 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 eff

SUBMITTER: Guassi MR 

PROVIDER: S-EPMC11636924 | biostudies-literature | 2024 May

REPOSITORIES: biostudies-literature