Author: Vladislav V. Ursaki

0000000001207390

AUTHOR

Vladislav V. Ursaki

showing 1 related works from this author

Structural and vibrational study of pseudocubic CdIn2Se4 under compression

2014

We report a comprehensive experimental and theoretical study of the structural and vibrational properties of a-CdIn2Se4 under compression. Angle-dispersive synchrotron X-ray diffraction and Raman spectroscopy evidence that this ordered-vacancy compound with pseudocubic structure undergoes a phase transition (7 GPa) toward a disordered rocksalt structure as observed in many other ordered-vacancy compounds. The equation of state and the pressure dependence of the Raman-active modes of this semiconductor have been determined and compared both to ab initio total energy and lattice dynamics calculations and to related compounds. Interestingly, on decreasing pressure, at similar to 2 GPa, CdIn2Se…

Phase transitionEquation of stateHigh-pressureHydrostatic pressureAb initioThermodynamicsInitio molecular-dynamicsCondensed Matter::Materials Sciencesymbols.namesakePhase (matter)Physical and Theoretical ChemistryTotal-Energy calculationsPseudocubicHydrostatic pressureRaman-ScatteringChemistrySurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsOrdered-vacancy compoundsX-ray diffractionCrystallographyGeneral EnergyCompound semiconductorsAugmented-wave methodFISICA APLICADAX-ray crystallographyAb initiosymbolsCondensed Matter::Strongly Correlated ElectronsRaman spectroscopyInduced phase-transitionsRaman scattering

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