White Rose University Consortium logo
University of Leeds logo University of Sheffield logo York University logo

Density-polarisation functional theory of the response of a periodic insulating solid to an electric field

Godby, R.W., Gonze, X. and Ghosez, P. (1995) Density-polarisation functional theory of the response of a periodic insulating solid to an electric field. Physical Review Letters. pp. 4035-4038. ISSN 1079-7114

Full text available as:
[img]
Preview
Text (godby.pdf)
godby.pdf

Download (163Kb)

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 {\em 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.

Item Type: Article
Copyright, Publisher and Additional Information: © 1995 American Physical Society. This is an author produced version of the published paper. Uploaded in accordance with the publisher's self-arching policy.
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 25 Sep 2008 10:27
Last Modified: 17 Oct 2013 14:42
Published Version: http://dx.doi.org/10.1103/PhysRevLett.74.4035
Status: Published
Refereed: Yes
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/3992

Actions (login required)

View Item View Item