Wyniki wyszukiwania:

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...

The properties of the liquid metals are of great interest both because of their fundamental importance as well as their engineering applications. Considering a fact that local pseudopotentials offer mathematical ease, non-local pseudopotentials are to be preferred for correct assessment of the physical properties. However, with an intension to include features of the non-locality into the local potential formulation, a modified empty core potential was used.We believe that the present estimates for different thermo-elastic properties may serve as good starting point and the guideline for...