Self-consistent calculation of the Fermi level and the electron density in a thin metal film

Fermi levels, electron densities, electrostatic potential, and exchange and correlation potentials are self-consistently calculated. A jellium model is used for the positive charge. The thin metal film of thickness L is put between infinitely high potential walls at a distance D of each other. Periodic boundary conditions are used parallel to the surfaces. In order to keep down the number of basis functions used, self-consistent Fermi levels are determined as a function of D and then are extrapolated. In spite of the strong nonlocal character of the electrostatic potential self-consistent results are achieved treating this potential in a direct way, this fact allows to watch the role of this potential in connection with other variables of physical interest. Therefore this model seems to be suitable to be used within more general problems, such as those trying to describe metal–electrolyte interfaces.