Influence of hydrogen absorption on low-energy electronic collective excitations in palladium

Vyacheslav Mikhaylovich Silkin, I. P. Chernov, P. M. Echenique, Yury Mikhaylovich Koroteev, E. V. Chulkov

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

A theoretical study of electronic excitation spectra in Pd and PdH is reported. The calculations were performed with full inclusion of the electron band structure obtained within self-consistent pseudopotential approach. We demonstrate that the complicated Pd electronic structure at the Fermi level is reflected in a numerous peak structure of the excitation spectra. The evolution of the energy-loss spectrum with momentum and its anisotropy are analyzed. Strong modification of the excitation spectra upon hydrogen absorption is found. We also study the role of intra- and interband transitions in the formation of dominating plasmon peak both in pure Pd and PdH. In Pd, this peak is mainly determined by intraband transitions. The downward shift of this peak from ∼7.2 eV in pure Pd to ∼4.2 eV in PdH is mainly explained by interband transitions from occupied Pd d bands to unoccupied hydrogen-modified sp states in the 7-13 eV energy range.

Original languageEnglish
Article number245105
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume76
Issue number24
DOIs
Publication statusPublished - 6 Dec 2007

Fingerprint

Palladium
palladium
Hydrogen
hydrogen
Fermi level
electronics
Band structure
excitation
Electronic structure
Energy dissipation
Momentum
Anisotropy
energy
Electrons
pseudopotentials
energy dissipation
inclusions
electronic structure
momentum
anisotropy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Influence of hydrogen absorption on low-energy electronic collective excitations in palladium. / Silkin, Vyacheslav Mikhaylovich; Chernov, I. P.; Echenique, P. M.; Koroteev, Yury Mikhaylovich; Chulkov, E. V.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 76, No. 24, 245105, 06.12.2007.

Research output: Contribution to journalArticle

@article{1a966ff5629148199923c32d180959dc,
title = "Influence of hydrogen absorption on low-energy electronic collective excitations in palladium",
abstract = "A theoretical study of electronic excitation spectra in Pd and PdH is reported. The calculations were performed with full inclusion of the electron band structure obtained within self-consistent pseudopotential approach. We demonstrate that the complicated Pd electronic structure at the Fermi level is reflected in a numerous peak structure of the excitation spectra. The evolution of the energy-loss spectrum with momentum and its anisotropy are analyzed. Strong modification of the excitation spectra upon hydrogen absorption is found. We also study the role of intra- and interband transitions in the formation of dominating plasmon peak both in pure Pd and PdH. In Pd, this peak is mainly determined by intraband transitions. The downward shift of this peak from ∼7.2 eV in pure Pd to ∼4.2 eV in PdH is mainly explained by interband transitions from occupied Pd d bands to unoccupied hydrogen-modified sp states in the 7-13 eV energy range.",
author = "Silkin, {Vyacheslav Mikhaylovich} and Chernov, {I. P.} and Echenique, {P. M.} and Koroteev, {Yury Mikhaylovich} and Chulkov, {E. V.}",
year = "2007",
month = "12",
day = "6",
doi = "10.1103/PhysRevB.76.245105",
language = "English",
volume = "76",
journal = "Physical Review B",
issn = "0163-1829",
publisher = "American Institute of Physics Publising LLC",
number = "24",

}

TY - JOUR

T1 - Influence of hydrogen absorption on low-energy electronic collective excitations in palladium

AU - Silkin, Vyacheslav Mikhaylovich

AU - Chernov, I. P.

AU - Echenique, P. M.

AU - Koroteev, Yury Mikhaylovich

AU - Chulkov, E. V.

PY - 2007/12/6

Y1 - 2007/12/6

N2 - A theoretical study of electronic excitation spectra in Pd and PdH is reported. The calculations were performed with full inclusion of the electron band structure obtained within self-consistent pseudopotential approach. We demonstrate that the complicated Pd electronic structure at the Fermi level is reflected in a numerous peak structure of the excitation spectra. The evolution of the energy-loss spectrum with momentum and its anisotropy are analyzed. Strong modification of the excitation spectra upon hydrogen absorption is found. We also study the role of intra- and interband transitions in the formation of dominating plasmon peak both in pure Pd and PdH. In Pd, this peak is mainly determined by intraband transitions. The downward shift of this peak from ∼7.2 eV in pure Pd to ∼4.2 eV in PdH is mainly explained by interband transitions from occupied Pd d bands to unoccupied hydrogen-modified sp states in the 7-13 eV energy range.

AB - A theoretical study of electronic excitation spectra in Pd and PdH is reported. The calculations were performed with full inclusion of the electron band structure obtained within self-consistent pseudopotential approach. We demonstrate that the complicated Pd electronic structure at the Fermi level is reflected in a numerous peak structure of the excitation spectra. The evolution of the energy-loss spectrum with momentum and its anisotropy are analyzed. Strong modification of the excitation spectra upon hydrogen absorption is found. We also study the role of intra- and interband transitions in the formation of dominating plasmon peak both in pure Pd and PdH. In Pd, this peak is mainly determined by intraband transitions. The downward shift of this peak from ∼7.2 eV in pure Pd to ∼4.2 eV in PdH is mainly explained by interband transitions from occupied Pd d bands to unoccupied hydrogen-modified sp states in the 7-13 eV energy range.

UR - http://www.scopus.com/inward/record.url?scp=36849052869&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=36849052869&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.76.245105

DO - 10.1103/PhysRevB.76.245105

M3 - Article

VL - 76

JO - Physical Review B

JF - Physical Review B

SN - 0163-1829

IS - 24

M1 - 245105

ER -