Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9575178 | Chemical Physics | 2005 | 6 Pages |
Abstract
Inelastic X-ray scattering spectra of single crystalline benzoic acid have been measured as a function of the momentum transfer vector, Q, in the frequency range of 300-1800 cmâ1. These measurements are confronted with dispersion curves that have been calculated using force constants derived from periodic DFT calculations in a (2, 2, 1) supercell. Even though limited by the signal-to-noise ratio and the resolution of the spectra, all spectral features and their Q-vector dependence are reproduced by the calculations. A comparison of this technique with inelastic neutron and light (Raman) scattering is made.
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Authors
Marie Plazanet, Alexandre Beraud, Mark Johnson, Michael Krisch, H. Peter Trommsdorff,