0000000000173692
AUTHOR
Gwilherm Nenert
showing 2 related works from this author
High-Pressure Raman Study of Fe(IO3)3: Soft-Mode Behavior Driven by Coordination Changes of Iodine Atoms
2020
[EN] We report high-pressure Raman spectroscopy studies of Fe(IO3)(3) up to nearly 21 GPa that have been interpreted with the help of density functional theory calculations, which include the calculation of phonon dispersion curves and elastic constants at different pressures. Zero-pressure Raman-active mode frequencies and their pressure dependences have been determined. Modes have been assigned and correlated to atomic movements with the help of calculations. Interestingly, in the high-frequency region, there are several modes that soften under compression. These modes have been identified as internal vibrations of the IO3 coordination polyhedron. Their unusual behavior is a consequence o…
First-Order Isostructural Phase Transition Induced by High Pressure in Fe(IO3)3
2020
The high-pressure (HP) behavior of Fe(IO3)3 was studied up to 35 GPa using powder X-ray diffraction, infrared micro-spectroscopy, and ab initio density-functional theory calculations. Fe(IO3)3 show...