Density-Polarization Functional Theory of the Response of a Periodic Insulating Solid to an Electric Field
Year: 1995
Type: article
Abstract: The response of an infinite, periodic, insulating solid to an infinitesimally small electric field is investigated in the framework of density functional theory. We find that the applied perturbing potential is not a unique functional of the periodic density change; it depends also on the change in the macroscopic polarization. Moreover, the dependence of the exchange-correlation energy on polarization induces an exchange-correlation electric field. These effects are exhibited for a model semiconductor. We also show that the scissor-operator technique is an approximate way of bypassing this polarization dependence.
Source: Physical Review Letters
Authors: X. Gonze, Ph. Ghosez, R. W. Godby
Institutions: UCLouvain, University of Cambridge
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W1988187231