Determination of multilayer relaxations of the Cu(210) stepped surface by calculation of LEED intensities

In this report, we investigate the surface multilayer relaxation of clean C u(210) by the Barbieri/Van Hove symmetrized automated tensor LEED calculati on, based upon the multiple scattering theory. We have examined the change of Pendry R factor as a function of the structural and nonstructural variab les in the calculation. The results show that a R-p factor of 0.20 can be a chieved when the top 10 interlayer spacings of clean Cu(210) were optimized to experimental data using a muffin-tin radius of 1.217 Angstrom and a muf fin-tin zero of 8 eV. The first three interlayer spacings are d(12) = 0.761 +/- 0.04 Angstrom, d(23) = 0.759 +/- 0.04 Angstrom and d(34) = 0.862 +/- 0 .03 Angstrom, respectively (versus the bulk value of 0.807 Angstrom). It th erefore appears that the Cu(210) surface contracts to some extent, decreasi ng the surface roughness. The strain-induced multilayer relaxation of Cu(21 0) surface is discussed.