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|Title:||Determination of multilayer relaxations of the Cu(210) stepped surface by calculation of LEED intensities|
|Authors:||Guo, Y.P. |
|Source:||Guo, Y.P.,Tan, K.C.,Wee, A.T.S.,Huan, C.H.A. (1999-10). Determination of multilayer relaxations of the Cu(210) stepped surface by calculation of LEED intensities. Surface Review and Letters 6 (5) : 819-824. ScholarBank@NUS Repository.|
|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.|
|Source Title:||Surface Review and Letters|
|Appears in Collections:||Staff Publications|
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