Student seminars

#StudentSeminar: High-pressure structural and vibrational study of metal oidates, from experiments and density-functional theory

por Akun Liang

Europe/Madrid
Universe

Universe

Descripción

Here, we reported a characterization of the high-pressure structural and vibrational behavior of three metal iodates (Co, Zn and Fe). A series general features have been found by the combination of x-ray diffraction, Raman spectroscopy, Infrared spectroscopy and first-principles calculations. we have found evidence of two subtle isosymmetric structural phase transitions and presented arguments relating these transitions to a nonlinear behavior of phonons and changes induced by pressure on the coordination sphere of the iodine atoms. This fact is explained as a consequence of the formation of metavalent bonding at high pressure which is favored by the lone-electron pairs of iodine.

Organized by

Pablo Martínez Reviriego