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Determination of acoustic phonon dispersion curves in layer silicates by inelastic neutron scattering and computer simulation techniques |
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| Authors: | D R Collins W G Stirling C R A Catlow G Rowbotham |
| Institution: | 1. Department of Chemistry, Keele University, ST5 5BG, Staffordshire, UK 2. Department of Physics, Keele University, ST5 5BG, Staffordshire, UK 3. Davy Faraday Research Laboratory, Royal Institution of Great Britain, 21 Albemarle Street, W1X 4BS, London, UK 4. Department of Geology, Keele University, ST5 5BG, Staffordshire, UK |
| Abstract: | Inelastic neutron scattering and computer modelling techniques have been used to study acoustic phonons in several layer silicate minerals. Experimental measurements have been made on four layer silicate minerals; namely samples of muscovite, Fe-bearing muscovite, margarite and chlorite. The longitudinal acoustic modes propagating along the 0, 0, ξ] direction of muscovite and Fe-bearing muscovite were found to be the same, within experimental error. The longitudinal and transverse acoustic modes propagating along 0, 0, ξ] of muscovite have been calculated using computer simulation techniques based on lattice dynamics. The experimental and calculated longitudinal modes of muscovite are in excellent agreement, thereby demonstrating the complementary nature of both techniques. The shape of both experimental and calculated dispersion curves was found to be approximately sinusoidal, indicating that interatomic forces act principally between nearest-neighbour atoms. |
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