An empirical interaction potential for the Ar/Pt(111) system

被引:20
作者
Kulginov, D
Persson, M
Rettner, CT
Bethune, DS
机构
[1] CHALMERS UNIV TECHNOL, DEPT APPL PHYS, S-41296 GOTHENBURG, SWEDEN
[2] IBM CORP, ALMADEN RES CTR K31 801, SAN JOSE, CA 95120 USA
关键词
D O I
10.1021/jp9531725
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report an empirical potential energy surface (PES) for the Ar/Pt(111) system. We also report new atomic beam scattering data for this system, extending up to collision energies of >7 eV. The PES is based on a pairwise sum of noncentral potentials. Molecular dynamics calculations on this PES are found to be in generally good agreement with scattering data spanning the thermal and structure scattering regimes and with published measurements of the trapping probability as a function of incidence energy, E(i), and angle, theta(i). An important exception to the overall good agreement between experiment and calculation is that we are not able to account fully for the observed degree of energy transfer for E(i) cos(2) theta(i) > 3 eV. We suggest that the excess energy transfer is due to coupling to electron-hole pairs.
引用
收藏
页码:7919 / 7927
页数:9
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