Coverage dependence of the work function and charge transfer on the alkali-metal-jellium surface

Abstract

The first example of a fully self-consistent electronic structure calculation is presented that elucidates the coverage ($\ensuremath{\Theta}$) dependence of the work function and the nature of the adatom-substrate bond for alkali-metal overlayers on a jellium surface. The characteristic $\ensuremath{\Theta}$ dependence of the work function observed widely can be reproduced in a straightforward way, without invoking a clustering among adatoms and/or a $\ensuremath{\Theta}$ dependence of the adatom-substrate distance.