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 Pendry R factor as a function of the structural and nonstructural variables in the calculation. The results show that a Rp factor 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 are d12=0.761± 0.04 Å, d23=0.759± 0.04 Å and d34=0.862± 0.03 Å, 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.
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