Optical phonons in CdGa2S4x Se4(1 − x) alloys

Kerimova, T. G.; Абдуллаев, Н. А.; Mamedova, I. A.; Badalova, Z. I.; Guliev, R. A.; Paucar, Raul; Wakita, Kazuki; Mamedov, Nazim

doi:10.1134/s1063782613060110

Cited by 3 publications

(2 citation statements)

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“…cations, respectively; although the high-frequency region is mainly dependent of anions since it is usually dominated by stretching modes characterized by the vibrations of anions (S) against the cations. [36][37][38][39] The most intense Raman peak is the lowest-frequency A 1 mode, known as the breathing mode since it is related to the symmetric vibration of anions around the stoichiometric vacancies. Strong A-symmetry Raman modes have been observed in other…”

Section: Theoretical Calculation Detailsmentioning

confidence: 99%

“…16,20,21,36,39 The breathing mode is mainly influenced by the anion substitution and to a minor extent by the A cation. 37,38 Regarding the B and E modes, their strong cation dependence, mainly in the low and highfrequency regions, has allowed to understand the different vibrations that occur inside the unit cell. 40,41 In fact, the substitution of A (B) cations in OVCs has revealed a one-mode (two-mode) behavior of the low-frequency (high-frequency) vibrational modes.…”

Section: Theoretical Calculation Detailsmentioning

confidence: 99%

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Vibrational properties of CdGa2S4 at high pressure

Gallego-Parra

Gomis

Vilaplana

et al. 2019

Journal of Applied Physics

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Raman scattering measurements have been performed in cadmium digallium sulphide (CdGa2S4) with defect chalcopyrite structure up to 25 GPa in order to study its pressureinduced 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 CdGa2S4. Our measurements provide evidence that CdGa2S4 undergoes an irreversible phase transition above 15 GPa to a Raman-inactive phase, likely with disordered rocksalt 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 zincblende structure, that undergoes a reversible phase transition to the Raman-inactive phase above 10 GPa.

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Section: Theoretical Calculation Detailsmentioning

confidence: 99%