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

R.W. Godby, X. Gonze, P. Ghosez

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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.
Original languageEnglish
Pages (from-to)4035-4038
Number of pages3
JournalPhysical Review Letters
Issue number20
Publication statusPublished - 15 May 1995

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© 1995 American Physical Society. This is an author produced version of the published paper. Uploaded in accordance with the publisher's self-arching policy.

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