Abstract
First-principles calculations are performed to obtain the dielectric function and loss spectra of bulk PdH x. Hydrogen concentrations between x=0 and 1 are considered. The calculated spectra are dominated by a broad peak that redshifts in energy with x. The obtained bulk dielectric function is employed to compute the loss spectra of PdH x spherical nanoparticles as a function of x. The dominant plasmon peak in the spherical nanoparticle is lowered in energy with respect to the bulk case. However, the dependence of the resonance energy on the hydrogen concentration is roughly similar to that in bulk.
Original language | English |
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Article number | 104021 |
Journal | Journal of Physics Condensed Matter |
Volume | 24 |
Issue number | 10 |
DOIs | |
Publication status | Published - 14 Mar 2012 |
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics