The self-consistent response of the electron density of a crystal copper film to an external electrostatic field

The response of the electrons of an fcc copper (001) film to an external electrostatic field is calculated. In order to determine the distribution of the screening charge, the equations of the electron density-functional theory are solved self-consistently by an original method. The position of the “image plane,” which is involved in a correct asymptotic expression for the exchange-correlation potential in the vacuum region, is first determined when performing a quantum-mechanical calculation for an anisotropic crystal film. The nonlinear electron response is characterized by the evolution of the “center of gravity” of the induced charge, which is also investigated. The calculations take into account the crystal structure of the film, and the results differ essentially from the predictions of the “jelly” model.