DETERMINATION OF MULTILAYER RELAXATIONS OF THE Cu(210) STEPPED SURFACE BY CALCULATION OF LEED INTENSITIES

Y. P. Guo, K. C. Tan, A. T. S. Wee () and C. H. A. Huan
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Y. P. Guo: Department of Physics, National University of Singapore, Kent Ridge, 119260, Singapore
K. C. Tan: Department of Physics, National University of Singapore, Kent Ridge, 119260, Singapore
A. T. S. Wee: Department of Physics, National University of Singapore, Kent Ridge, 119260, Singapore
C. H. A. Huan: Department of Physics, National University of Singapore, Kent Ridge, 119260, Singapore

Surface Review and Letters (SRL), 1999, vol. 06, issue 05, 819-824

Abstract: In this report, we investigate the surface multilayer relaxation of clean Cu(210) by the Barbieri/Van Hove symmetrized automated tensor LEED calculation, based upon the multiple scattering theory. We have examined the change of PendryRfactor as a function of the structural and nonstructural variables in the calculation. The results show that aRpfactor of 0.20 can be achieved when the top 10 interlayer spacings of clean Cu(210) were optimized to experimental data using a muffin-tin radius of 1.217 Å and a muffin-tin zero of 8 eV. The first three interlayer spacings ared12=0.761± 0.04Å,d23=0.759± 0.04Å andd34=0.862± 0.03Å, respectively (versus the bulk value of 0.807 Å). It therefore appears that the Cu(210) surface contracts to some extent, decreasing the surface roughness. The strain-induced multilayer relaxation of Cu(210) surface is discussed.

Date: 1999
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DOI: 10.1142/S0218625X99000858

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