Vibrational properties of CdGa 2 S 4 at high pressure

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

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994

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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, 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

Vibrational properties of CdGa ₂ S ₄ at high pressure

DOI:https://doi.org/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, Ursachi Veaceslav⁵, 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,
⁵ Institute of the Electronic Engineering and Nanotechnologies "D. Ghitu",
⁶ Technical University of Moldova

Disponibil în IBN: 5 aprilie 2019

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Rezumat

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.

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

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