A refined He–LiF(001) potential from selective adsorption resonances measured with high-resolution helium spin-echo spectroscopy

Abstract

The authors have developed a new experimental approach for measuring gas-surface selective adsorption resonances with much higher energy resolution and over a wider range of kinematic conditions than has previously been possible. The technique involves using a 3He spin-echo spectrometer as a Fourier transform helium atom scattering apparatus. The authors applied the technique to the He-LiF(001) system. They developed a new empirical potential for the He-LiF(001) system by analyzing and refining the best existing potentials in the light of the new data set. Following an initial free-particle model analysis, the authors used exact close coupling scattering calculations to compare the existing potentials with the new experimental data set. Systematic differences are observed between the two. The existing potentials are modified by simple transformations to give a refined potential that is consistent with and fully reproduces the experimental data. Their technique represents a new approach for developing very high precision empirical potentials in order to test first principles theory.