Article Dans Une Revue Journal of Physical Chemistry Letters Année : 2025

Ab initio atomistic characterization of confined bulk and Bennett plasmons in metallic nanoparticles as probed by penetrating electrons

Résumé

Despite the experimental observation of confined bulk plasmons (CBPs) in metallic nanostructures using electron energy-loss spectroscopy (EELS), there is still limited theoretical understanding of their resonance structure when excited by penetrating electron beams. In this work, we use atomistic ab initio time-dependent density functional theory (TDDFT) to perform a first-principles study of the excitation of CBPs induced by swift electrons. Our quantum approach offers a parameter-free framework for the calculation of the EEL spectra of metallic nanoparticles with atomistic resolution, while jellium TDDFT and classical hydrodynamic calculations allow us to unravel the rich spectral pattern associated with CBPs. Additionally, the excitation of high-energy surface resonances characterized by an induced dipole moment across the nanoparticle surface, known as Bennett modes, is also explored. This study represents a significant step forward in the exploration of plasmonic signatures in EELS of metallic nanoparticles.

Fichier principal
Vignette du fichier
Main_text_resubmission.pdf (5.47 Mo) Télécharger le fichier

Dates et versions

hal-04999622 , version 1 (20-03-2025)

Licence

Identifiants

Citer

Bruno Candelas, Mattin Urbieta, Antton Babaze, Eduardo Ogando, Andrei Borisov, et al.. Ab initio atomistic characterization of confined bulk and Bennett plasmons in metallic nanoparticles as probed by penetrating electrons. Journal of Physical Chemistry Letters, 2025, 16, pp.2965-2971. ⟨10.1021/acs.jpclett.5c00157⟩. ⟨hal-04999622⟩
95 Consultations
57 Téléchargements

Altmetric

Partager

  • More