Evidence of a Reentrant Peierls Distortion in Liquid GeTe

J. Y. Raty, V. Godlevsky, Ph. Ghosez, C. Bichara, J. P. Gaspard, and James R. Chelikowsky
Phys. Rev. Lett. 85, 1950 – Published 28 August 2000
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Abstract

The local atomic order of semiconducting liquid GeTe is studied using first-principles molecular-dynamics simulations. Our work points out a high degree of alternating chemical order in the liquid and demonstrates the presence of a Peierls distortion close above the melting temperature. This distortion, absent in the high temperature crystalline structure of NaCl type, is a remnant of the atomic arrangement in the A7 low temperature crystalline phase. It disappears slowly with temperature, as the liquid evolves from a semiconducting to a metallic state.

  • Received 4 January 2000

DOI:https://doi.org/10.1103/PhysRevLett.85.1950

©2000 American Physical Society

Authors & Affiliations

J. Y. Raty1, V. Godlevsky2, Ph. Ghosez1, C. Bichara3, J. P. Gaspard1, and James R. Chelikowsky4

  • 1Institut de Physique, B5, Université de Liège, B4000 Sart-Tilman, Belgium
  • 2Department of Physics, Rutgers University, 136 Frelinghuysen Road, Piscataway, New Jersey 08854
  • 3Centre de Recherche sur les Mécanismes de la Croissance Cristalline, CNRS, Campus de Luminy, Case 913, F13288 Marseille, Cedex 09, France
  • 4Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455

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Vol. 85, Iss. 9 — 28 August 2000

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