The Raman spectrum of CaCO3 polymorphs calcite and aragonite: A combined experimental and computational study
Powder and single crystal Raman spectra of the two most common phases of calcium carbonate are calculated with ab initio techniques (using a “hybrid” functional and a Gaussian-type basis set) and measured both at 80 K and room temperature. Frequencies of the Raman modes are in very good agreement be...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
| Published: |
American Institute of Physics
2014
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/26373 |