Phase transitions and lattice dynamics in Ag2H3IO6 and (NH4)2H3IO6

Abstract

The investigation of thermal, optical and dielectric properties of Ag2H3IO6 and (NH4)2H3IO6 revealed phase transitions in two steps with unknown intermediate phases. Reflectivity measurements in the far infrared region confirm that the main step is caused by a freezing in of the proton tunnelling modes. From the results of NMR-NQR-spectroscopy the low temperature structures for both compounds are deduced. The complete group analysis of lattice vibrations and proton ordering modes of the room temperature phases is performed. In the case of Ag2H3IO6 the transitions can be discussed in the frame-work of the Landau theory, starting with a condensation of an antiphase vibration of the silver atoms in theF point of the trigonal Brillouin zone, whereas in the case of (NH4)2H3IO6 a simultaneous ordering of protons inZ, F, andL-points of the Brillouin zone is proposed for the first step. A new definition of antiferroelectric transitions is suggested which is based on symmetry arguments only. The proton-ordering transitions in both compounds can then be classified as antiferroelectric.