Anharmonic Interatomic Potentials of Metals and Metal Bromides Determined by EXAFS
Toshihiko Yokoyama, Tomiaki Satsukawa, Toshiaki Ohta
Abstract
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Toshihiko Yokoyama, Tomiaki Satsukawa, Toshiaki Ohta
Abstract
Open-access reader
A new method is proposed for the determination of anharmonic interatomic potentials of fcc metals (Cu, Pd, Ag and Au) and metal halides (AgBr and CuBr). Structural parameters given by the temperature-dependent EXAFS (extended X-ray absorption fine structure) analysis allow us to estimate an interatomic potential if a certain analytical potential function such as Morse or Mardelung potential is assumed. The derived parameters as dissociation energies, thermal expansion coefficients and Mardelung constants (only for Mardelung potentials) are compared with the data in the literature.
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A new method is proposed for the determination of anharmonic interatomic potentials of fcc metals (Cu, Pd, Ag and Au) and metal halides (AgBr and CuBr). Structural parameters given by the temperature-dependent EXAFS (extended X-ray absorption fine structure) analysis allow us to estimate an interatomic potential if a certain analytical potential function such as Morse or Mardelung potential is assumed. The derived parameters as dissociation energies, thermal expansion coefficients and Mardelung constants (only for Mardelung potentials) are compared with the data in the literature.
Key concepts: Anharmonicity, Interatomic potential, Extended X-ray absorption fine structure, Morse potential, Halide, Chemistry, Metal, Thermal expansion