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Rigid unit modes in the high-temperature phase of SiO2 tridymite: calculations and electron diffraction |
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| Authors: | M T Dove K D Hammonds V Heine R L Withers Y Xiao R J Kirkpatrick |
| Institution: | 1. Department of Earth Sciences, University of Cambridge, Downing Street, CB3EQ, Cambridge, UK 2. Cavendish Laboratory, University of Cambridge, Madingley Road, CB3 OHE, Cambridge, K 3. Research School of Chemistry, Australian National University, 0200, Canberra, ACT, Australia 4. Department of Geology, University of Illinois at Urbana-Champaign, 61801, Urbana, IL, USA |
| Abstract: | Calculations of the rigid unit mode (RUM) spectrum of the high-temperature phase of SiO2 tridymite are used to explain the patterns of diffuse scattering seen in transmission electron microscopy experiments. These results show that RUM's can occur with wave vectors on curved surfaces in reciprocal space rather than being confined to symmetry points, lines or planes. The fact that the calculations reproduce the detail seen in the diffuse scattering provides a striking nontrivial confirmation of the validity of the rigid unit mode model. |
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