Vibrational properties of CdGa 2 S 4 at high pressure
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GALLEGO-PARRA, Samuel; GOMIS, Oscar; VILAPLANA, Rosario Isabel; ORTIZ, Henry M; PEREZ-GONZALEZ, Eduardo; LUNA, Ramon; RODRIGUEZ-HERNANDEZ, Placida Rogelio; MUNOZ, Alfonso Gonzalez; URSAKI, Veacheslav; TIGINYANU, Ion; MANJON, Francisco Javier. Vibrational properties of CdGa 2 S 4 at high pressure. In: Journal of Applied Physics. 2019, nr. 11(125), p. 0. ISSN 0021-8979.
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Journal of Applied Physics
Numărul 11(125) / 2019 / ISSN 0021-8979

Vibrational properties of CdGa 2 S 4 at high pressure

DOI: 10.1063/1.5080503
Pag. 0-0

Gallego-Parra Samuel1, Gomis Oscar1, Vilaplana Rosario Isabel1, Ortiz Henry M123, Perez-Gonzalez Eduardo4, Luna Ramon1, Rodriguez-Hernandez Placida Rogelio4, Munoz Alfonso Gonzalez4, Ursaki Veacheslav5, Tiginyanu Ion6, Manjon Francisco Javier1
1 Universitat Politècnica de València,
2 CINVESTAV-Departamento de Nanociencia y Nanotecnología, Unidad Querétaro,
3 Universidad Distrital Fco. José de Caldas, Bogotá,
4 Universidad de La Laguna, La Laguna,
5 Institute of the Electronic Engineering and Nanotechnologies "D. Ghitu",
6 Technical University of Moldova
Disponibil în IBN: 5 aprilie 2019


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.

Cadmium compounds, Calculations, Copper compounds, Crystal lattices, Gallium compounds, Raman scattering, specific heat, Thermal expansion, Zinc sulfide