Site occupancy in the Re-W sigma phase

C. Berne, M. Sluiter, Y. Kawazoe, T. Hansen, and A. Pasturel
Phys. Rev. B 64, 144103 – Published 19 September 2001
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Abstract

The site occupancy in the Re-W sigma phase is studied using neutron-diffraction experiments and using a first-principles statistical thermodynamics approach. We show that the five inequivalent lattice sites of the sigma phase display a specific site-occupation sequence with increasing W composition which is explained by a theoretical analysis.

  • Received 23 April 2001

DOI:https://doi.org/10.1103/PhysRevB.64.144103

©2001 American Physical Society

Authors & Affiliations

C. Berne1, M. Sluiter2, Y. Kawazoe2, T. Hansen3, and A. Pasturel4

  • 1Commissariat à l’Energie Atomique, Direction de la Recherche Technologique, Département des Techniques des Energies Nouvelles, 17 Rue des Martyrs, 38054 Grenoble-Cedex 09, France
  • 2Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan
  • 3Institut Laue Langevin, BP 156, 38042 Grenoble-Cedex 09, France
  • 4Laboratoire de Physique et Modélisation des Milieux Condensés, Maison des Magistères, BP 166 CNRS, 38042 Grenoble-Cedex 09, France

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Vol. 64, Iss. 14 — 1 October 2001

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