Band structure of surface states and resonances for clean Cu(110) surface

Surface Science 601 (2007) 5779–5782
M.N. Read *, Q.Y. Qiu
School of Physics, University of New South Wales, Sydney, NSW 2052, Australia
Available online 30 June 2007
Abstract
We have used the layer KKR method to calculate the Shockley and Rydberg surface states and resonances for Cu(110) for a given model of the surface potentials. This method has not been used before to predict all of the surface band structure for the energy range from the bottom of the conduction band to 7 eV above the vacuum level. The previous methods that used only local electron interactions in ab initio calculations could not produce the Rydberg surface barrier bands while those relying on nearly-free-electron parameterisation of bands could not deal with d-bands.
2007 Elsevier B.V. All rights reserved.
Keywords: Cu(110) surface electronic states; Surface electronic structure calculations; Shockley and Rydberg surface bands; Layer-by-layer KKR
scattering method