On the effect of deformation and dielectric coating on the electron work function in a metal

Abstract

The surface tension, electron work function, and contact potential difference of elastically deformed faces of Al, Au, Cu, and Zn crystals are calculated in the stable jelly model with the help of the self- consistent Kohn-Sham method. Calculations demonstrate a decrease (increase) in the electron work function and an increase (decrease) in the contact potential difference upon axial extension (compression) of the metal crystal surface. Dielectric coating leads to a negative (positive) change in the work function (contact potential difference). It is shown that the measurement of the contact potential difference of a deformed face by the Kelvin method corresponds to a change not in the electron work function, but in the value of one-electron effec- tive potential on the virtual image plane behind the surface. The calculated values are in conformity with exper- imental results for polycrystals and the results of ab initio calculations.