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 |
|---|---|
| Article number | 104021 |
| Journal | Journal of Physics Condensed Matter |
| Volume | 24 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - 14 Mar 2012 |
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ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
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Tuning the plasmon energy of palladium-hydrogen systems by varying the hydrogen concentration. / Silkin, Vyacheslav Mikhaylovich; Díez Muĩo, R.; Chernov, I. P.; Chulkov, E. V.; Echenique, P. M.
In: Journal of Physics Condensed Matter, Vol. 24, No. 10, 104021, 14.03.2012.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Tuning the plasmon energy of palladium-hydrogen systems by varying the hydrogen concentration
AU - Silkin, Vyacheslav Mikhaylovich
AU - Díez Muĩo, R.
AU - Chernov, I. P.
AU - Chulkov, E. V.
AU - Echenique, P. M.
PY - 2012/3/14
Y1 - 2012/3/14
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84857402900&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84857402900&partnerID=8YFLogxK
U2 - 10.1088/0953-8984/24/10/104021
DO - 10.1088/0953-8984/24/10/104021
M3 - Article
C2 - 22353792
AN - SCOPUS:84857402900
VL - 24
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
SN - 0953-8984
IS - 10
M1 - 104021
ER -