On the vacancy in a metal

The self-consistent calculations of spatial distributions of electrons and potentials in an isolated spherical cavity (with atomic radius $R_{\mathrm{WS}}$) of the Wigner–Seitz cell, the energy of the vacancy formation, and the vacancy contribution to the electrical resistance have been performed in terms of the modified Kohn–Sham method and the stabilized jellium model. The energy shift of the ground state of electrons in the Wigner–Seitz cell with radius $R_v\gg R_{\mathrm{WS}}$ (where $R_v$ is the average distance between vacancies), the contribution of vacancies to the electron work function, and the effective mass of electrons have been found using the calculated phase shifts of the scattering wave functions and the representation of a system of vacancies as a “superlattice” in a metal.