Competing Mechanisms for Ordering Tendencies in BCC CuAuZn2 and FCC AuFe Alloys

  • D. D. Johnson
  • J. D. Althoff
  • J. B. Staunton
  • M. F. Ling
  • F. J. Pinski
Chapter
Part of the NATO ASI Series book series (NSSB, volume 355)

Abstract

We have implemented a first-principles theory of short-range order in high-temperature, disordered, multicomponent alloys (and magnetic and paramagnetic binary alloys) which determines the atomic (and magnetic) pair-correlations from the underlying local-density-functional electronic structure of the chemically (homogeneously) random alloy. Features in diffuse scattering intensities may be directly related to their electronic origins, for microscopic, system-dependent understanding of the ordering tendencies, or atomic short-range order (ASRO). We discuss briefly the electronic origins, and the novel competitions they produce, for the ordering tendencies in two different alloy systems. First, we discuss the ASRO indicating a high-temperature B2-type state in BCC (Heusler) CuAuZn2; the ordering tendency is determined by a competition between the different types of order associated with each of the three independent pair-correlations, with the dominant ordering originating from band filling. Second, the controversial < 1,1/2,0 > ASRO observed in FCC AuFe alloys (prepared at high-temperature and rapidly quenched) arises from a competition between ordering (from hybridization) and clustering (from band-filling) tendencies within the same pair-correlation.

Keywords

Heusler Alloy Band Filling Electronic Origin Multi Component Alloy Anti Bonding State 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Copyright information

© Plenum Press, New York 1996

Authors and Affiliations

  • D. D. Johnson
    • 1
  • J. D. Althoff
    • 1
  • J. B. Staunton
    • 2
  • M. F. Ling
    • 2
  • F. J. Pinski
    • 3
  1. 1.Computational Materials Science Dept.Sandia National LaboratoriesLivermoreUSA
  2. 2.Dept. of PhysicsUniversity of WarwickCoventryUK
  3. 3.Dept. of PhysicsUniversity of CincinnatiCincinnatiUSA

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