Dipole Barriers at Structured Metal Surfaces

Mattheiss' successful method of approximating the electronic charge distribution in crystals by superposing the charge densities of free atoms is used to calculate dipole barriers at metal surfaces. Low index surface planes are studied for five simple metals and eleven transition metals of either f.c.c. or b.c.c. structure. Some of these metals are also studied by other authors with different methods. The agreement with the results obtained is fairly good. In addition, the differences in the work function obtained from the calculated dipole barriers for different surface planes of a specific metal agree surprisingly favourable with the majority of the respective experimental data.

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