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Electronic Structure and Phase Stability Properties in Ternary Substitutional Alloys

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Abstract

Electronic structure and stability properties of ternary-metal alloys are examined using an extension of the Coherent Potential Approximation-Generalized Perturbation Method approach within the Tight-Binding description of the chemically random alloy. In particular, we report on calculations of density of states, mixing energies and effective cluster interactions which build up the ordering energy. The study focuses on the Ti-V-Fe system and its binary components.

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Authors and Affiliations

  1. Condensed Matter Division, L-268, Lawrence Livermore National Laboratory, Livermore, CA, 94550, USA

    Ariel J.S. Traiber, Marcel Sluiter & Patrice E.A. Turchi

  2. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA

    Ariel J.S. Traiber & Samuel M. Allen

Authors
  1. Ariel J.S. Traiber
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  2. Marcel Sluiter
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  3. Patrice E.A. Turchi
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  4. Samuel M. Allen
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Traiber, A.J., Sluiter, M., Turchi, P.E. et al. Electronic Structure and Phase Stability Properties in Ternary Substitutional Alloys. MRS Online Proceedings Library 291, 437–442 (1992). https://doi.org/10.1557/PROC-291-437

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  • DOI: https://doi.org/10.1557/PROC-291-437

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