Vibrational properties at the ordered metallic surface alloy system Au(110)-1×2-Pd

Sedik Kheffache, Rabah Chadli, Antoine Khater

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

We present a calculation for the vibrational properties of the ordered surface alloy Au(110)-1×2-Pd on a crystalline substrate of Au. The surface phonon dispersion curves and the local vibrations densities of states (LDOS) are calculated in the harmonic approximation for the system, using the phase field matching theory (PFMT) method and associated real space Green's functions. In particular, it is shown that the surface alloy presents optic vibrational modes above the Au bulk bands, along the directions of high-symmetry "X, XS, SY and Y " of the corresponding two-dimensional Brillouin zone. Measurements of the surface phonon dispersion branches can hence be made by different techniques such as helium atom scattering (HAS) to compare with. The calculated LDOS for Au and Pd atomic sites in the four top surface atomic layers span a wider range of frequencies than those for the individual Au(110) or Pd(110) metallic surfaces. These LDOS provide a spectral signature for the progressive transition from the surface dynamics to that of the Au crystal bulk. Knowledge of these LDOS for the surface alloy can also serve as an input for modeling the diffusion and reaction rates of chemical species at its surface.

Original languageEnglish
Article number1650126
JournalInternational Journal of Modern Physics B
Volume30
Issue number20
DOIs
Publication statusPublished - 10 Aug 2016
Externally publishedYes

Fingerprint

vibration
spectral signatures
helium atoms
Brillouin zones
vibration mode
reaction kinetics
Green's functions
optics
harmonics
symmetry
curves
approximation
scattering
crystals

Keywords

  • LDOS
  • ordered metallic surface alloy
  • Surface phonons

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Condensed Matter Physics

Cite this

Vibrational properties at the ordered metallic surface alloy system Au(110)-1×2-Pd. / Kheffache, Sedik; Chadli, Rabah; Khater, Antoine.

In: International Journal of Modern Physics B, Vol. 30, No. 20, 1650126, 10.08.2016.

Research output: Contribution to journalArticle

Kheffache, Sedik ; Chadli, Rabah ; Khater, Antoine. / Vibrational properties at the ordered metallic surface alloy system Au(110)-1×2-Pd. In: International Journal of Modern Physics B. 2016 ; Vol. 30, No. 20.
@article{ef6a208d2f6b4c02b150ec989f4be310,
title = "Vibrational properties at the ordered metallic surface alloy system Au(110)-1×2-Pd",
abstract = "We present a calculation for the vibrational properties of the ordered surface alloy Au(110)-1×2-Pd on a crystalline substrate of Au. The surface phonon dispersion curves and the local vibrations densities of states (LDOS) are calculated in the harmonic approximation for the system, using the phase field matching theory (PFMT) method and associated real space Green's functions. In particular, it is shown that the surface alloy presents optic vibrational modes above the Au bulk bands, along the directions of high-symmetry {"}X, XS, SY and Y {"} of the corresponding two-dimensional Brillouin zone. Measurements of the surface phonon dispersion branches can hence be made by different techniques such as helium atom scattering (HAS) to compare with. The calculated LDOS for Au and Pd atomic sites in the four top surface atomic layers span a wider range of frequencies than those for the individual Au(110) or Pd(110) metallic surfaces. These LDOS provide a spectral signature for the progressive transition from the surface dynamics to that of the Au crystal bulk. Knowledge of these LDOS for the surface alloy can also serve as an input for modeling the diffusion and reaction rates of chemical species at its surface.",
keywords = "LDOS, ordered metallic surface alloy, Surface phonons",
author = "Sedik Kheffache and Rabah Chadli and Antoine Khater",
year = "2016",
month = "8",
day = "10",
doi = "10.1142/S0217979216501265",
language = "English",
volume = "30",
journal = "International Journal of Modern Physics B",
issn = "0217-9792",
publisher = "World Scientific Publishing Co. Pte Ltd",
number = "20",

}

TY - JOUR

T1 - Vibrational properties at the ordered metallic surface alloy system Au(110)-1×2-Pd

AU - Kheffache, Sedik

AU - Chadli, Rabah

AU - Khater, Antoine

PY - 2016/8/10

Y1 - 2016/8/10

N2 - We present a calculation for the vibrational properties of the ordered surface alloy Au(110)-1×2-Pd on a crystalline substrate of Au. The surface phonon dispersion curves and the local vibrations densities of states (LDOS) are calculated in the harmonic approximation for the system, using the phase field matching theory (PFMT) method and associated real space Green's functions. In particular, it is shown that the surface alloy presents optic vibrational modes above the Au bulk bands, along the directions of high-symmetry "X, XS, SY and Y " of the corresponding two-dimensional Brillouin zone. Measurements of the surface phonon dispersion branches can hence be made by different techniques such as helium atom scattering (HAS) to compare with. The calculated LDOS for Au and Pd atomic sites in the four top surface atomic layers span a wider range of frequencies than those for the individual Au(110) or Pd(110) metallic surfaces. These LDOS provide a spectral signature for the progressive transition from the surface dynamics to that of the Au crystal bulk. Knowledge of these LDOS for the surface alloy can also serve as an input for modeling the diffusion and reaction rates of chemical species at its surface.

AB - We present a calculation for the vibrational properties of the ordered surface alloy Au(110)-1×2-Pd on a crystalline substrate of Au. The surface phonon dispersion curves and the local vibrations densities of states (LDOS) are calculated in the harmonic approximation for the system, using the phase field matching theory (PFMT) method and associated real space Green's functions. In particular, it is shown that the surface alloy presents optic vibrational modes above the Au bulk bands, along the directions of high-symmetry "X, XS, SY and Y " of the corresponding two-dimensional Brillouin zone. Measurements of the surface phonon dispersion branches can hence be made by different techniques such as helium atom scattering (HAS) to compare with. The calculated LDOS for Au and Pd atomic sites in the four top surface atomic layers span a wider range of frequencies than those for the individual Au(110) or Pd(110) metallic surfaces. These LDOS provide a spectral signature for the progressive transition from the surface dynamics to that of the Au crystal bulk. Knowledge of these LDOS for the surface alloy can also serve as an input for modeling the diffusion and reaction rates of chemical species at its surface.

KW - LDOS

KW - ordered metallic surface alloy

KW - Surface phonons

UR - http://www.scopus.com/inward/record.url?scp=84976408157&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84976408157&partnerID=8YFLogxK

U2 - 10.1142/S0217979216501265

DO - 10.1142/S0217979216501265

M3 - Article

AN - SCOPUS:84976408157

VL - 30

JO - International Journal of Modern Physics B

JF - International Journal of Modern Physics B

SN - 0217-9792

IS - 20

M1 - 1650126

ER -