Molecular dynamics study of crystals with ferroic phase transitions

Raman spectroscopy as a useful tool to study ferroic phase transitions is presented. Deuterated analogue of b-LiNH4SO4 and Rb3H(SeO4)2, representatives of ferroic materials, were chosen for temperature Raman studies. Characteristic changes of external and internal modes of SO4 and SeO4 entities were related to the properties typical of ferroelectricity and ferroelasticity present in these materials. q 2004 Elsevier B.V. All rights reserved.