High-pressure optical and vibrational properties of CdGa 2Se 4: Order-disorder processes in adamantine compounds
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GOMIS, Oscar, VILAPLANA, Rosario Isabel, MANJN, F. J., PEREZ-GONZALEZ, Eduardo, LOPEZ-SOLANO, Javier, RODRGUEZ-HERNNDEZ, P., MUOZ, Alfonso G., ERRANDONEA, Daniel J.H., RUIZ-FUERTES, Javier, SEGURA, Alfredo, SANTAMARA-PEREZ, D., TIGINYANU, Ion, URSAKI, Veaceslav. High-pressure optical and vibrational properties of CdGa 2Se 4: Order-disorder processes in adamantine compounds. In: Journal of Applied Physics, 2012, vol. 111, p. 0. ISSN 0021-8979. DOI: https://doi.org/10.1063/1.3675162
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Journal of Applied Physics
Volumul 111 / 2012 / ISSN 0021-8979 /ISSNe 1089-7550

High-pressure optical and vibrational properties of CdGa 2Se 4: Order-disorder processes in adamantine compounds

DOI:https://doi.org/10.1063/1.3675162

Pag. 0-0

Gomis Oscar1, Vilaplana Rosario Isabel1, Manjn F. J.1, Perez-Gonzalez Eduardo2, Lopez-Solano Javier2, Rodrguez-Hernndez P.2, Muoz Alfonso G.2, Errandonea Daniel J.H.3, Ruiz-Fuertes Javier3, Segura Alfredo3, Santamara-Perez D.4, Tiginyanu Ion5, Ursaki Veaceslav5
 
1 Universitat Politècnica de València,
2 Universidad de La Laguna,
3 Necunoscută, Spania,
4 Universidad Complutense de Madrid,
5 Institute of Applied Physics, Academy of Sciences of Moldova
 
 
Disponibil în IBN: 27 martie 2018


Rezumat

High-pressure optical absorption and Raman scattering measurements have been performed in defect chalcopyrite (DC) CdGa 2Se 4 up to 22 GPa during two pressure cycles to investigate the pressure-induced order-disorder phase transitions taking place in this ordered-vacancy compound. Our measurements reveal that on decreasing pressure from 22 GPa, the sample does not revert to the initial phase but likely to a disordered zinc blende (DZ) structure the direct bandgap and Raman-active modes of which have been measured during a second upstroke. Our measurements have been complemented with electronic structure and lattice dynamical ab initio calculations. Lattice dynamical calculations have helped us to discuss and assign the symmetries of the Raman modes of the DC phase. Additionally, our electronic band structure calculations have helped us in discussing the order-disorder effects taking place above 6-8 GPa during the first upstroke.

Cuvinte-cheie
Engineering controlled terms Copper compounds, Electronic structure Engineering uncontrolled terms Ab initio calculations, Dynamical calculations, Electronic band structure calculation, Order disorder phase transitions, Order-disorder effects, Pressure cycles, Raman active modes, Raman modes, Raman Scattering measurements, Vibrational properties, Zinc blende Engineering main heading Calculations