Deeper-band electron contributions to stopping power of silicon for low-energy ions

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-d...

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Detalles Bibliográficos
Autores: Matias, Flávio, Grande, P.L., Koval, Natalia E., Shorto, J.M.B., Silva, Tiago Fiorini da, Arista, N. R.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/373548
Acceso en línea:http://hdl.handle.net/10261/373548
Access Level:acceso abierto
Descripción
Sumario: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 → 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.