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Acoustic Plasmons in Nickel and Its Modification upon Hydrogen Uptake

In this work, we study, in the framework of the ab initio linear-response time-dependent density functional theory, the low-energy collective electronic excitations with characteristic sound-like dispersion, called acoustic plasmons, in bulk ferromagnetic nickel. Since the respective spatial oscilla...

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Detalles Bibliográficos
Autores principales: Koroteev, Yury M., Silkin, Igor V., Chernov, Ivan P., Chulkov, Evgueni V., Silkin, Vyacheslav M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9823890/
https://www.ncbi.nlm.nih.gov/pubmed/36616051
http://dx.doi.org/10.3390/nano13010141
Descripción
Sumario:In this work, we study, in the framework of the ab initio linear-response time-dependent density functional theory, the low-energy collective electronic excitations with characteristic sound-like dispersion, called acoustic plasmons, in bulk ferromagnetic nickel. Since the respective spatial oscillations in slow and fast charge systems involve states with different spins, excitation of such plasmons in nickel should result in the spatial variations in the spin structure as well. We extend our study to NiH [Formula: see text] with different hydrogen concentrations x. We vary the hydrogen concentration and trace variations in the acoustic plasmons properties. Finally, at [Formula: see text] the acoustic modes disappear in paramagnetic NiH. The explanation of such evolution is based on the changes in the population of different energy bands with hydrogen content variation.