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American Physical Society, Physical Review B (Condensed Matter), 14(64), 2001

DOI: 10.1103/physrevb.64.144103

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Site occupancy in the Re-W sigma phase

Journal article published in 2001 by C. Berne, M. Sluiter, Y. Kawazoe, Thomas Hansen, A. Pasture, A. Pasturel
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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.