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High-pressure Raman and infrared study of ZrV2O7
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry, Structural Chemistry.
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2007 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 141, no 12, 680-684 p.Article in journal (Refereed) Published
Abstract [en]

The room-temperature Raman and infrared spectra of zirconium vanadate (ZrV2O7) were observed up to pressures of 12 GPa and 5.7 GPa, respectively. The frequencies of the optically active modes at ambient pressure were calculated using direct methods and compared with experimental values. Average mode Gruneisen parameters were calculated for the Raman and infrared active modes. Changes in the spectra under pressure indicate a phase transition at similar to 1.6 GPa, which is consistent with the previously observed a (cubic) to (pseudo-tetragonal) phase transition, and changes in the spectra at similar to 4 GPa are consistent with an irreversible transformation to an amorphous structure. 

Place, publisher, year, edition, pages
2007. Vol. 141, no 12, 680-684 p.
Keyword [en]
strain, high pressure, inelastic light scattering, light absorption and reflection, negative thermal-expansion, total-energy calculations, augmented-wave method, basis-set, phase
National Category
Chemical Sciences
URN: urn:nbn:se:su:diva-57126DOI: 10.1016/j.ssc.2007.01.003ISI: 000244998600010OAI: diva2:416033
authorCount :7Available from: 2011-05-10 Created: 2011-05-03 Last updated: 2011-05-10Bibliographically approved

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