Prediction of intercluster separation and Schottky-type heat-capacity contribution in surface-segregated binary and ternary alloy nanocluster systems

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26 Scopus citations

Abstract

Site-specific average atomic concentrations computed for systems of Rh-Cu, Ni-Cu and Rh-Ni-Cu icosahedral and cuboctahedral free nanoclusters of different sizes by the "free-energy concentration expansion method" are used for evaluating pertinent cluster thermodynamic functions. Compared to stable surface segregated "magic-number" structures, at intermediate overall compositions the cluster system is expected to separate into these "phases." A Schottky-type heat-capacity anomaly is predicted and attributed to atomic exchange (e.g., desegregation) excitation processes. Its measurement can elucidate the cluster segregation energetics.

Original languageEnglish
Article number125426
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume71
Issue number12
DOIs
StatePublished - 15 Mar 2005

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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