Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/98901
Title: Study of a computational-time-saving scheme for quantitative LEED analysis by the matrix inversion method
Authors: Sun, Y.Y. 
Wee, A.T.S. 
Huan, A.C.H. 
Issue Date: Apr-2003
Citation: Sun, Y.Y.,Wee, A.T.S.,Huan, A.C.H. (2003-04). Study of a computational-time-saving scheme for quantitative LEED analysis by the matrix inversion method. Surface Review and Letters 10 (2-3) : 493-497. ScholarBank@NUS Repository.
Abstract: A computational-time-saving scheme for quantitative LEED analysis by the matrix inversion method was studied. Two computational-time-critical parameters, the number of atomic layers (Nl) in the surface slab and the number of ion-core scattering phase shifts (lmax), were tested for energy dependence. Our study on a Cu(210) surface shows that no dependence of Nl on the incident energy exists in the energy range of LEED (50-400 eV), i.e. using energy-dependent Nl is not feasible. The effect of slab thickness reduction on the precision of the Pendry R-factor based best-fit structure search was then studied. This study provides a guide to the selection of surface slab thickness in quantitative LEED analysis by the matrix inversion method. Also, we show that using an energy-dependent lmax can save nearly half of the overall computational time for obtaining a set of I-V curves by the matrix inversion method.
Source Title: Surface Review and Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/98901
ISSN: 0218625X
Appears in Collections:Staff Publications

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