The influence of pressure on the structure and dynamics of hydrogen bonds in zoisite and clinozoisite
Density functional theory calculations have been used to study the pressure-induced changes of the hydrogen bond of Fe-free orthozoisite and clinozoisite and the concomitant shifts of the OH-stretching frequencies. Two independent parameter-free lattice dynamical calculations have been employed. One...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
Springer-Verlag
2008
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/6897 |