Neutron scattering studies of short-range order, atomic displacements, and effective pair interactions in a null-matrix Ni0.5262Pt0.48 crystal

J. A. Rodriguez, S. C. Moss, J. L. Robertson, J. R. D. Copley, D. A. Neumann, and J. Major
Phys. Rev. B 74, 104115 – Published 28 September 2006

Abstract

The best known exception to the Heine-Sampson and Bieber-Gauthier arguments for ordering effects in transition metal alloys (similar to the Hume-Rothery rules) is a NiPt alloy, whose phase diagram is similar to that of the CuAu system. Using neutron scattering we have investigated the local atomic order in a null-matrix Ni0.5262Pt0.48 single crystal. In a null-matrix alloy, the isotopic composition is adjusted so that the average neutron scattering length vanishes (Ni62 has a negative scattering length nearly equal in magnitude to that of Pt). Consequently, all contributions to the total scattering depending on the average lattice are suppressed. The only remaining components of the elastic scattering are the short-range order (SRO) and size effect terms. These data permit the extraction of the SRO parameters (concentration-concentration correlations) as well as the displacement parameters (concentration-displacement correlations). Using the Krivoglaz-Clapp-Moss theory, we obtain the effective pair interactions (EPIs) between near neighbors in the alloy. The results can be used by theorists to model the alloy in the context of the electronic theory of alloy phase stability, including a preliminary evaluation of the local species-dependent displacements. Our maps of V(q), the Fourier transform of the EPIs, show very similar shapes in the experimental and reconstructed data. This is of importance when comparing to electronic structure calculations.

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  • Received 22 March 2006

DOI:https://doi.org/10.1103/PhysRevB.74.104115

©2006 American Physical Society

Authors & Affiliations

J. A. Rodriguez* and S. C. Moss

  • Department of Physics, University of Houston, Houston, Texas 77204-5005, USA

J. L. Robertson

  • Oak Ridge National Laboratory, P.O. Box 2008 MS 6393, Oak Ridge, Tennessee 37831-6393, USA

J. R. D. Copley and D. A. Neumann

  • National Institute of Standards and Technology, 100 Bureau Drive, MS 8562, Gaithersburg, Maryland 20899-8562, USA

J. Major

  • Max Planck Institut für Metallforschung, Heisenbergstraße 3, 70569 Stuttgart, Germany

  • *Present addresses: Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742-2115, USA and National Institute of Standards and Technology, 100 Bureau Drive, MS 8562, Gaithersburg, MD 20899-8562, USA.

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Vol. 74, Iss. 10 — 1 September 2006

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