A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Effect of self-interaction corrections (SIC) on physical properties of small Al, Ag and Ni nanoparticles
Tekijät: Leiro Jarkko
Kustantaja: PERGAMON-ELSEVIER SCIENCE LTD
Julkaisuvuosi: 2023
Journal: Solid State Communications
Tietokannassa oleva lehden nimi: SOLID STATE COMMUNICATIONS
Lehden akronyymi: SOLID STATE COMMUN
Artikkelin numero: 115278
Vuosikerta: 371
Sivujen määrä: 4
ISSN: 0038-1098
DOI: https://doi.org/10.1016/j.ssc.2023.115278
Verkko-osoite: https://doi.org/10.1016/j.ssc.2023.115278
Rinnakkaistallenteen osoite: 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.
Ladattava julkaisu This is an electronic reprint of the original article. |