A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä

Effect of self-interaction corrections (SIC) on physical properties of small Al, Ag and Ni nanoparticles




TekijätLeiro Jarkko

KustantajaPERGAMON-ELSEVIER SCIENCE LTD

Julkaisuvuosi2023

JournalSolid State Communications

Tietokannassa oleva lehden nimiSOLID STATE COMMUNICATIONS

Lehden akronyymiSOLID STATE COMMUN

Artikkelin numero 115278

Vuosikerta371

Sivujen määrä4

ISSN0038-1098

DOIhttps://doi.org/10.1016/j.ssc.2023.115278

Verkko-osoitehttps://doi.org/10.1016/j.ssc.2023.115278

Rinnakkaistallenteen osoitehttps://research.utu.fi/converis/portal/detail/Publication/180884007


Tiivistelmä
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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Last updated on 2024-26-11 at 11:17