Van Hove singularity induced {ital L}1{sub 1} ordering in CuPt

Journal Article · Mon Apr 17 00:00:00 EDT 1995 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.74.3225· OSTI ID:46397

Clark, J F; Pinski, F J; Johnson, D D; Sterne, P A; Staunton, J B; Ginatempo, B ^[1]

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1. Department of Physics, University of Cincinnati, Cincinnati, Ohio 45221 (United States)

We describe an ordering mechanism that arises due to coupling between electronic states at van Hove singularities. This novel mechanism, which naturally leads to ordered structures with small unit cells, couples states near the Fermi energy which are localized at high-symmetry points in {bold k} space, in contrast to the conventional mechanism which relies on large parallel sheets of Fermi surface. Using first-principles calculations of the electronic structure of ordered and disordered alloys, we show that this mechanism drives the unusual short- and long-range order found in fcc CuPt.

• Research Organization: Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 46397
• Journal Information: Physical Review Letters, Vol. 74, Issue 16; Other Information: PBD: 17 Apr 1995
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
COPPER ALLOYS
ORDER-DISORDER TRANSFORMATIONS
PLATINUM ALLOYS
BINARY ALLOY SYSTEMS
CRYSTAL-PHASE TRANSFORMATIONS
VAN HOVE THEORY
ELECTRONIC STRUCTURE
SINGULARITY
FERMI LEVEL