Abstract

Energies of the formation of monovacancies, as well as the binding energies and work functions of quasi-free and localized positrons and positroniums have been calculated in terms of the gradient version of the density-functional method using the stable-jellium model. The calculations show that for the metals possessing negative positron work function, the presence of vacancies in the subsurface region can lead to the change in the sign of the work function. The same effect of the change in the sign of the work function of a quasi-free positron can be caused by the presence of a dielectric coating on the metal surface. Comparison with the experiment is performed.

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