Abstract
An exact analytic formulation is presented for the dynamics of anharmonic low index surfaces of fcc crystals, based on an anharmonic pair potential coupling the first and second surface layers. This yields a general analytic expression for helium specular scattering at thermal energies in low index surfaces. The theoretical results are in agreement, in particular, with experimental data for Cu(1 0 0). The mean square displacements for surface layer sites are calculated as a function of temperature in this approach, and found to be in agreement with the results of the molecular dynamics simulation for Cu(1 0 0). The anharmonic pair potential strength is evaluated. The analytic formulation for the thermal attenuation of helium specular scattering in anharmonic surfaces, should make possible the selective access to the scattered intensities from other quasi-elastic surface processes notably at high temperature.
| Original language | English |
|---|---|
| Pages (from-to) | 264-270 |
| Number of pages | 7 |
| Journal | Surface Science |
| Volume | 496 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 10 Jan 2002 |
| Externally published | Yes |
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Keywords
- Atom-solid interactions, scattering, diffraction
- Copper
- Low index single crystal surfaces
- Molecular dynamics
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Surfaces and Interfaces
Cite this
An analytical model for the study of anharmonic dynamics in surfaces. / Khater, A.
In: Surface Science, Vol. 496, No. 3, 10.01.2002, p. 264-270.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - An analytical model for the study of anharmonic dynamics in surfaces
AU - Khater, A.
PY - 2002/1/10
Y1 - 2002/1/10
N2 - An exact analytic formulation is presented for the dynamics of anharmonic low index surfaces of fcc crystals, based on an anharmonic pair potential coupling the first and second surface layers. This yields a general analytic expression for helium specular scattering at thermal energies in low index surfaces. The theoretical results are in agreement, in particular, with experimental data for Cu(1 0 0). The mean square displacements for surface layer sites are calculated as a function of temperature in this approach, and found to be in agreement with the results of the molecular dynamics simulation for Cu(1 0 0). The anharmonic pair potential strength is evaluated. The analytic formulation for the thermal attenuation of helium specular scattering in anharmonic surfaces, should make possible the selective access to the scattered intensities from other quasi-elastic surface processes notably at high temperature.
AB - An exact analytic formulation is presented for the dynamics of anharmonic low index surfaces of fcc crystals, based on an anharmonic pair potential coupling the first and second surface layers. This yields a general analytic expression for helium specular scattering at thermal energies in low index surfaces. The theoretical results are in agreement, in particular, with experimental data for Cu(1 0 0). The mean square displacements for surface layer sites are calculated as a function of temperature in this approach, and found to be in agreement with the results of the molecular dynamics simulation for Cu(1 0 0). The anharmonic pair potential strength is evaluated. The analytic formulation for the thermal attenuation of helium specular scattering in anharmonic surfaces, should make possible the selective access to the scattered intensities from other quasi-elastic surface processes notably at high temperature.
KW - Atom-solid interactions, scattering, diffraction
KW - Copper
KW - Low index single crystal surfaces
KW - Molecular dynamics
UR - http://www.scopus.com/inward/record.url?scp=0037050229&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037050229&partnerID=8YFLogxK
U2 - 10.1016/S0039-6028(01)01393-0
DO - 10.1016/S0039-6028(01)01393-0
M3 - Article
AN - SCOPUS:0037050229
VL - 496
SP - 264
EP - 270
JO - Surface Science
JF - Surface Science
SN - 0039-6028
IS - 3
ER -