Lattice dynamics of ordered and disordered Cu3 Au with a tight-binding potential model |
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| Authors: | Fabrizio Cleri Vittorio Rosato |
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| Affiliation: | Divisione Scienza dei Materiali , Ente per le Nuove Technologic , Energia e Ambiente Casaccia, CP 2400, I-00100, Roma AD, Italy |
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| Abstract: | Abstract The phonon dispersion curves for both ordered and configurationally disordered cubic phases of Cu3Au are calculated using force constants derived from a many-body tight-binding potential. The derived phonon frequency spectra are used to estimate the vibrational contribution to the entropy difference between the two phases. A brief discussion concerning the relative values of interatomic force constants is included. |
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