Abstract
We have studied the vibrational properties of by means of Raman scattering in ambient conditions, at low temperature, and also at high pressure. Results are discussed in the framework of an ab initio calculation. Raman active modes have wave numbers and . Polarized measurements with single crystals have confirmed their symmetry. We present and discuss the phonon-dispersion curves. Below , the temperature dependence of the Raman active modes is almost linear, with coefficients and . Most of the temperature shift is associated with thermal expansion. The pressure dependence is given by and . We observe a reversible phase transition at , which, as already has been shown to happen in , we relate to the existence of a dynamical instability.
- Received 17 January 2006
DOI:https://doi.org/10.1103/PhysRevB.74.184301
©2006 American Physical Society