Publications by authors named "Shravan Godse"
Article Synopsis
- Formamidinium-based halide perovskite crystals exhibit unique properties compared to methylammonium-based ones, due to their inorganic sublattice having local static disorder while maintaining an overall average structure.
- The researchers utilized terahertz-range Raman scattering, single-crystal X-ray diffraction, and first-principles calculations to investigate how the dynamics of the inorganic sublattice change with temperature from 10 to 300 K.
- The findings indicate that low-temperature local static disorder significantly influences the crystal structure and phase changes as the temperature increases.
Anharmonic lattice dynamics and thermal transport in type-I inorganic clathrates.
J Phys Condens Matter
February 2022
The anharmonic phonon properties of type-I filled inorganic clathrates BaGaGeand SrGaGeare obtained from the first-principles calculations by considering the temperature-dependent sampling of the potential energy surface and quartic phonon renormalization. Owing to the weak binding of guest atoms with the host lattice, the obtained guest modes undergo strong renormalization with temperature and become stiffer by up to 50% at room temperature in SrGaGe. The calculated phonon frequencies and associated thermal mean squared displacements are comparable with experiments despite the on-centering of guest atoms at cage centers in both clathrates.
View Article and Find Full Text PDF