Polarization-Based Calculation of the Dielectric Tensor of Polar Crystals

Fabio Bernardini, Vincenzo Fiorentini, and David Vanderbilt
Phys. Rev. Lett. 79, 3958 – Published 17 November 1997
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Abstract

We present a novel method for the calculation of the static and electronic dielectric tensor of polar insulating crystals based on concepts from the modern theory of dielectric polarization. As an application, we present the first ab initio calculation of the dielectric constants in the wurtzite III-V nitrides AlN, GaN, and InN.

  • Received 24 July 1997

DOI:https://doi.org/10.1103/PhysRevLett.79.3958

©1997 American Physical Society

Authors & Affiliations

Fabio Bernardini and Vincenzo Fiorentini

  • INFM-Dipartimento di Scienze Fisiche, Università di Cagliari, I-09124 Cagliari, Italy

David Vanderbilt

  • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey

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Issue

Vol. 79, Iss. 20 — 17 November 1997

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