Phase transition of cadmium fluoride under high pressure |
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Authors: | Guangtao Liu Yanmei Ma Yanming Ma |
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Institution: | State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, People’s Republic of China |
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Abstract: | We investigated the high pressure phases of CdF2 by a joint theoretical and experimental study. The structural and electronic properties of CdF2 were extensively explored to high pressure by ab initio calculations based on the density functional theory. A structural phase transition from the fluorite-type (Fm-3m, Z=4) structure to the cotunnite-type (Pnma, Z=4) structure was estimated below 8 GPa, and this phase transition was examined by the high pressure experiments up to 35 GPa at room temperature. Both high pressure angle dispersive X-ray diffraction and Raman spectroscopy experiments provided convincing evidence to verify the phase transition. Our work makes clear pressure-induced phase transitions and structural information of CdF2 under high pressure. |
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Keywords: | A Semiconductors C Crystal structure and symmetry D Phase transitions E Synchrotron radiation |
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