Deeper-band electron contributions to stopping power of silicon for low-energy ions.
J Chem Phys
; 161(6)2024 Aug 14.
Article
em En
| MEDLINE
| ID: mdl-39136660
ABSTRACT
This study provides accurate results for the electronic stopping cross sections of H, He, N, and Ne in silicon in low to intermediate energy ranges using various non-perturbative theoretical methods, including real-time time-dependent density functional theory, transport cross section, and induced-density approach. Recent experimental findings [Ntemou et al., Phys. Rev. B 107, 155145 (2023)] revealed discrepancies between the estimates of density functional theory and the observed values. We show that these discrepancies vanish by considering the nonuniform electron density of the deeper silicon bands for ion velocities approaching zero (v â 0). This indicates that mechanisms such as "elevator" and "promotion," which can dynamically excite deeper-band electrons, are active, enabling a localized free-electron gas to emulate ion energy loss, as pointed out by Lim et al. [Phys. Rev. Lett. 116, 043201 (2016)]. The observation and the description of a velocity-proportionality breakdown in electronic stopping cross sections at very low velocities are considered to be a signature of the contributions of deeper-band electrons.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
Brasil
País de publicação:
Estados Unidos