Calculated thermodynamic properties of s
β
Nitin R. Keskar; James R. Chelikowsky
π
Article
π
1995
π
Springer-Verlag
π
English
β 864 KB
Accurate interatomic potentials have been employed to compute the phonon density of states of ~quartz, stishovite and coesite polymorphs of silica. The temperature variation of several thermodynamic properties is calculated by using the phonon density of states to describe the vibrational entropy co