THE DIRECT INVERSION OF HELIUM ATOM SCATTERING (HAS) DIFFRACTION SPECTRA

I. G. Shuttleworth ()
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I. G. Shuttleworth: Jubail University College, Jubail Industrial City 31961, Saudi Arabia

Surface Review and Letters (SRL), 2012, vol. 19, issue 01, 1-8

Abstract: An algorithm that provides direct, efficientND polynomial factorization is presented to solve the numerical issues that arise during the direct inversion of helium atom scattering (HAS) diffraction spectra. For ann-variate polynomial the algorithm directly deflates the polynomial ton-single variable equations by evaluating the ratio of pairs of polynomial coefficients. Error estimation of the coefficients of the 1D polynomials is then performed automatically using standard 1D search techniques. The effectiveness of the technique is demonstrated against bi- and trivariate polynomials and an approximate range of validity for error prone polynomials is demonstrated. To demonstrate the effectiveness of the technique, HAS diffraction spectra for the low coverage(2 × 1)-H/Pd(311)system have been analyzed using direct inversion and have revealed thatHbinds in a three-fold hollow site.

Keywords: Polynomial; multivariate; deflation; factorization; numerical methods; helium atom scattering; diffraction; inversion; hydrogen; Pd(311) (search for similar items in EconPapers)
Date: 2012
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DOI: 10.1142/S0218625X12500084

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