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SM ISO690:2012 GALLEGO-PARRA, Samuel, GOMIS, Oscar, VILAPLANA, Rosario Isabel, ORTIZ, Henry M, PEREZ-GONZALEZ, Eduardo, LUNA, Ramon, RODRIGUEZ-HERNANDEZ, Placida Rogelio, MUNOZ, Alfonso Gonzalez, URSACHI, Veaceslav, TIGINYANU, Ion, MANJON, Francisco Javier. Vibrational properties of CdGa 2 S 4 at high pressure. In: Journal of Applied Physics, 2019, vol. 125, p. 0. ISSN 0021-8979. DOI: https://doi.org/10.1063/1.5080503 |
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Journal of Applied Physics | |
Volumul 125 / 2019 / ISSN 0021-8979 /ISSNe 1089-7550 | |
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DOI:https://doi.org/10.1063/1.5080503 | |
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Raman scattering measurements have been performed in cadmium digallium sulphide (CdGa 2 S 4 ) with defect chalcopyrite structure up to 25 GPa in order to study its pressure-induced phase transitions. These measurements have been complemented and compared with lattice-dynamics ab initio calculations including the TO-LO splitting at high pressures in order to provide a better assignment of experimental Raman modes. In addition, experimental and theoretical Grüneisen parameters have been reported in order to calculate the molar heat capacity and thermal expansion coefficient of CdGa 2 S 4 . Our measurements provide evidence that CdGa 2 S 4 undergoes an irreversible phase transition above 15 GPa to a Raman-inactive phase, likely with a disordered rock salt structure. Moreover, the Raman spectrum observed on downstroke from 25 GPa to 2 GPa has been attributed to a new phase, tentatively identified as a disordered zinc blende structure, that undergoes a reversible phase transition to the Raman-inactive phase above 10 GPa. |
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Cuvinte-cheie Cadmium compounds, Calculations, Copper compounds, Crystal lattices, Gallium compounds, Raman scattering, specific heat, Thermal expansion, Zinc sulfide |
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