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arXiv · 0801.1853

Intermediate-Range Order in Water Ices

T. T. Fister·K. P. Nagle·F. D. Vila·G. T. Seidler·C. Hamner·J. O. Cross·J. J. Rehr
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Abstract

We report measurements of the non-resonant inelastic x-ray scattering (NRIXS) from the O 1s orbitals in ice Ih, and also report calculations of the corresponding spectra for ice Ih and several other phases of water ice. We find that the intermediate-energy fine structure may be calculated well using an ab initio real-space full multiple scattering approach, and that it provides a strong fingerprint of the intermediate-range order for some ice phases. These results have important consequences for future NRIXS measurements of high-pressure phases of ice and also may call into question the assumption that the wavefunctions for final states within a few eV of the absorption edge are strongly localized.

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T. T. Fister, K. P. Nagle, F. D. Vila, G. T. Seidler, C. Hamner, J. O. Cross, J. J. Rehr. 2008-01-11. Intermediate-Range Order in Water Ices. https://arxiv.org/abs/0801.1853

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