Band structure of surface states and resonances for clean Cu(1 1 0) surface

We have used the layer KKR method to calculate the Shockley and Rydberg surface states and resonances for Cu(1 1 0) 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 ba...

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Bibliographic Details
Published in:Surface science 2007-12, Vol.601 (24), p.5779-5782
Main Authors: Read, M.N., Qiu, Q.Y.
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Condensed matter: structure, mechanical and thermal properties
Cross-disciplinary physics: materials science
rheology
Cu surface electronic states
Exact sciences and technology
Layer-by-layer KKR scattering method
Physics
Shockley and Rydberg surface bands
Surface electronic structure calculations
Citations: Items that this one cites
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Summary:We have used the layer KKR method to calculate the Shockley and Rydberg surface states and resonances for Cu(1 1 0) 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.
ISSN:0039-6028
1879-2758
DOI:10.1016/j.susc.2007.06.059