ISBN-13: 9783659401183 / Angielski / Miękka / 2014 / 108 str.
We presently conclude that the present study supplemented by previousobservations reveals that though the anharmonicity in CaF2 is very strong, high-T thermodynamic properties can be accurately obtained only by considering the volume dependence of the phonon frequencies. Sent Although, X-point softening in opticalmode is clearly obtained in the present case study via only thermal expansion effect, anharmonicity due to phonon decay process expected at -point of BZ still remainsthe subject of interest, so as the high-P melting curve and P-T phase diagram. Simpleapproach within the TB-SMA, which was originally designed for elemental metals, iscapable to mimic the principal Hugoniot for such strongly ionic materials."
We presently conclude that the present study supplemented by previousobservations reveals that though the anharmonicity in CaF2 is very strong, high-T thermodynamic properties can be accurately obtained only by considering the volume dependence of the phonon frequencies. Sent Although, X-point softening in opticalmode is clearly obtained in the present case study via only thermal expansion effect,anharmonicity due to phonon decay process expected at Γ-point of BZ still remainsthe subject of interest, so as the high-P melting curve and P-T phase diagram. Simpleapproach within the TB-SMA, which was originally designed for elemental metals, iscapable to mimic the principal Hugoniot for such strongly ionic materials.