Abstract
The self-consistent Pseudopotential method is used to calculate the electronic structure of a Na halfmonolayer on the Al(001) surface. Surface and subsurface states are found on the Al(001)+ c(2 × 2)Na surface. The surface states are generated by the Na layer, many subsurface states originate from the true surface state of Al(001). The calculated work function 2.8 eV is in very good agreement with the experimental value 2.75 eV for pure sodium. These results indicate that (a) electronic properties of the A1(001) + c(2 × 2)Na surface are determined mainly by the Na halfmonolayer, (b) the Na halfmonolayer weakly influences the electronic structure of the Al substrate.
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