An extended three-body force shell model (ETSM) has been applied to investigate the static and dynamic properties of KCNxCl1−x for the compositionx = 0.56 and 1.0 at 300 K. The phonon dispersion curves computed by us are compared with the single crystal neutron diffraction data. The unusual features of these curves are the upward curvature seen in some of the acoustic branches. This is a result ofK-dependent softening of the phonon due to translation-rotation coupling. The transverse acoustic branch is more soft near the zone centre.
Volume 96, 2022
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