conference on human factors in computing systems - proceedings2007Vol. 10pp. 11-
77
i.p.studenyak2007condensedphonon
Abstract
The anomalous temperature behavior of the Raman scattering bands at superionic phase transition of is revealed. Using density functional perturbation theory within local density approximation, ab initio long-wavelength phonons have been obtained for high-symmetry cubic structure. In the calculated phonon spectrum two unstable modes indicate the experimentally observed sequence of ferroelastic and superionic phase transitions.