Model-potential approach to metal surfaces

P. Raghavendra Rao, G. Mukhopadhyay
1985 Physical Review B (Condensed Matter)  
A simple and realistic Inodel. potential of %'oods-Saxon type is used to determine the one-electron states for a semi-infinite metal (jellium). The various potential parameters are determined by the use of certain physical constraints which ensure the self-consistency approximately. To judge the accuracy and the effectiveness of this potential model, we compare the work-function values obtained in the present scheme with those of the fully self-consistent calculations of Lang and Kohn. We also
more » ... xtend the present analysis incorporating the lattice effects via local-pseudopotential theory to obtain the work-function values for a few simple real metals, and the results are compared with the polycrystalline experimental values.
doi:10.1103/physrevb.31.867 pmid:9935829 fatcat:wvsaekw6hfdl3aotzqe2e7ma7u