A1 Refereed original research article in a scientific journal
Effect of self-interaction corrections (SIC) on physical properties of small Al, Ag and Ni nanoparticles
Authors: Leiro Jarkko
Publisher: PERGAMON-ELSEVIER SCIENCE LTD
Publication year: 2023
Journal: Solid State Communications
Journal name in source: SOLID STATE COMMUNICATIONS
Journal acronym: SOLID STATE COMMUN
Article number: 115278
Volume: 371
Number of pages: 4
ISSN: 0038-1098
DOI: https://doi.org/10.1016/j.ssc.2023.115278
Web address : https://doi.org/10.1016/j.ssc.2023.115278
Self-archived copy’s web address: https://research.utu.fi/converis/portal/detail/Publication/180884007
The density functional method with self-interaction corrections (SIC) has been used to calculate the static dipole polarizations and surface plasmons of small metallic nanoparticles. It turns out that SIC lower the static dipole polarization per atom in the case of Al clusters when decreasing the number of atoms. In the case of silver, the dipole plasmon like excitation energies increase on going to smaller nanoparticles. The comparison with experiments has been shown to be in good agreement. Also, the static dipole polarizabilities of the Ni nanoparticles have been considered.
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