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Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

TitleAnomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys
Publication TypeJournal Article
Year of Publication2017
AuthorsKangsabanik, J, Chouhan, RK, Johnson, DD, Alam, A
JournalPhysical Review B
Volume96
Pagination2469-9950
Date Published09
Type of ArticleArticle
Accession NumberWOS:000411315700001
Keywordsaugmented-wave method, cr alloys, crystals, elastic-constants, gold, iron, magnetic-properties, mechanical-properties, nanoparticles, physics, thermal-conductivity
Abstract

s and phonon dispersion (split bands) near x = 0.19, which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x = 0.19, suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.

DOI10.1103/PhysRevB.96.100201
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