Optical properties of graphite from first-principles calculations

R. Ahuja, S. Auluck, J. M. Wills, M. Alouani, B. Johansson, and O. Eriksson
Phys. Rev. B 55, 4999 – Published 15 February 1997; Erratum Phys. Rev. B 56, 12652 (1997)
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Abstract

We present theoretical results for the frequency-dependent dielectric response, both for the electric field parallel and perpendicular to the c axis of graphite. The calculations are performed using a full-potential linear muffin-tin orbital method. Our calculations show fair agreement with experimental data and the different features observed are identified from interband transitions in various regions of the Brillouin zone. The anisotropy of the dielectric function is discussed in detail and shown to be due to the difference in the optical matrix elements for the two different polarizations, which is a result of the anisotropic crystallographic and electronic properties of graphite.

  • Received 14 May 1996

DOI:https://doi.org/10.1103/PhysRevB.55.4999

©1997 American Physical Society

Erratum

Erratum: Optical properties of graphite from first-principles calculations [Phys. Rev. B 55, 4999 (1997)]

R. Ahuja, S. Auluck, J. M. Wills, M. Alouani, B. Johansson, and O. Eriksson
Phys. Rev. B 56, 12652 (1997)

Authors & Affiliations

R. Ahuja

  • Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530 S-751 21, Uppsala, Sweden

S. Auluck

  • Department of Physics, University of Roorkee, Roorkee-247 667, India

J. M. Wills

  • Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87544

M. Alouani

  • Department of Physics, Ohio State University, Ohio

B. Johansson and O. Eriksson

  • Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530 S-751 21, Uppsala, Sweden

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Vol. 55, Iss. 8 — 15 February 1997

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