J. Phys. IV France 7 (1997) C2-279-C2-280
Anharmonic Corrections in Calculated High-Temperature EXAFS SpectraN.V. Hung
Department of Physics, University of Washington, Seattle, WA 98195-1560, U.S.A.
In this work the anharmonic corrections in calculated high-temperature EXAFS spectra have been evaluated. They lead to significant damping and shifting of EXAFS spectra. The calculated EXAFS spectra including these corrections of Cu agree very well with the measured results and are different from those calculated by harmonic model. This procedure can be applied for all crystals and for understanding properties of anharmonicity in catalysis research.
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