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, 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, 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,
5 Institute of the Electronic Engineering and Nanotechnologies "D. Ghitu",
6 Technical University of Moldova
 
Disponibil în IBN: 5 aprilie 2019


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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<dc:creator>Gallego-Parra, S.</dc:creator>
<dc:creator>Gomis, O.</dc:creator>
<dc:creator>Vilaplana, R.</dc:creator>
<dc:creator>Ortiz, H.</dc:creator>
<dc:creator>Perez-Gonzalez, E.</dc:creator>
<dc:creator>Luna, R.</dc:creator>
<dc:creator>Rodriguez-Hernandez, P.</dc:creator>
<dc:creator>Munoz, A.</dc:creator>
<dc:creator>Ursachi, V.V.</dc:creator>
<dc:creator>Tighineanu, I.M.</dc:creator>
<dc:creator>Manjon, F.</dc:creator>
<dc:date>2019-03-21</dc:date>
<dc:description xml:lang='en'><p>Raman scattering measurements have been performed in cadmium digallium sulphide (CdGa <sub>2</sub> S <sub>4</sub> ) 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 Gr&uuml;neisen parameters have been reported in order to calculate the molar heat capacity and thermal expansion coefficient of CdGa <sub>2</sub> S <sub>4</sub> . Our measurements provide evidence that CdGa <sub>2</sub> S <sub>4</sub> 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.</p></dc:description>
<dc:identifier>10.1063/1.5080503</dc:identifier>
<dc:source>Journal of Applied Physics  () 0-0</dc:source>
<dc:subject>Cadmium compounds</dc:subject>
<dc:subject>Calculations</dc:subject>
<dc:subject>Copper compounds</dc:subject>
<dc:subject>Crystal lattices</dc:subject>
<dc:subject>Gallium compounds</dc:subject>
<dc:subject>Raman scattering</dc:subject>
<dc:subject>specific heat</dc:subject>
<dc:subject>Thermal expansion</dc:subject>
<dc:subject>Zinc sulfide</dc:subject>
<dc:title>Vibrational properties of CdGa 2 S 4 at high pressure</dc:title>
<dc:type>info:eu-repo/semantics/article</dc:type>
</oai_dc:dc>