He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential

URN to cite this document:: urn:nbn:de:bvb:355-epub-341774
DOI to cite this document:: 10.5283/epub.34177

Martinez-Casado, R. ; Mallia, G. ; Usvyat, Denis ; Maschio, L. ; Casassa, S. ; Schütz, Martin ; Harrison, N. M.

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Date of publication of this fulltext: 01 Aug 2016 07:20

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Abstract

An efficient model describing the He-atom scattering process is presented. The He–surface interaction potential is calculated from first principles by exploiting second-order Rayleigh–Schrödinger many-body perturbation theory and fitted by using a variety of pairwise interaction potentials. The attractive part of the fitted analytical form has been upscaled to compensate the underestimation of ...