Vibrational and Thermal Properties of Ag-3[Co(CN)(6)] from FirstPrinciples Calculations and Infrared Spectroscopy
We have investigated the phonon modes of Ag3[Co(CN)6] using first-principles based methods and high-pressure infrared spectroscopy to understand the origin of its colossal thermal expansion. Grüneisen parameters of its zone-center vibrational modes were obtained from the calculations and compared to...
| Main Authors: | , , , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2013
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