Lattice dynamics of BaClF and SrClF

Structural Considerations and Polarization Energy of Some PbFCl-Type Compounds

“…For SrFCl and BaFCl these values are in good agreement with those computed from the phonon density of states (24).…”

Low temperature specific heat of SrFCl, SrFBr, and SrFI

“…The open circles in Fig. 4 represent the computed values of O s M ( T ) and the full curve represents the SM computation [4]. A smooth transition to the Debye curve is observed.…”

“…Computed Debye temperature as a function of temperature for SrFCI. Full curve is calculatcd from the lattice density of states [4]. Open circles take into account the Debye approximation at low temperature model and are higher than the theoretical ones by about 12%.…”

“…To get best agreement with the observed thermal variation, it seems reasonable to use the Debye spectral function [13] below 40 K based on Ocal, and to extend the computation up to 100K, using the published histogram of Balasubramanian and Haridasan [4].…”

“…However these data are in general incomplete. On the other hand, shell-model calculations [4] of the phonon spectrum have been employed to estimate the thermal variations of the specific heat, the Debye temperature, and the elastic constants [5] of BaFCl and SrFCl. It is interesting to compare these calculated properties with the experimental data [6].…”