Lattice Dynamics of (ND4Br)x(KBr)1-x Mixed Crystals

We have incorporated the translational rotational (TR)
coupling effects in the framework of three body force shell model
(TSM) to develop an extended TSM (ETSM). The dynamical matrix
of ETSM has been applied to compute the phonon frequencies of
orientationally disordered mixed crystal (ND4Br)x(KBr)1-x in (q00),
(qq0) and (qqq) symmetry directions for compositions 0.10≤x≤0.50
at T=300K.These frequencies are plotted as a function of wave vector
k. An unusual acoustic mode softening is found along symmetry
directions (q00) and (qq0) as a result of translation-rotation coupling.

Authors:

• Alpana Tiwari
• N. K. Gaur

Keywords:

• Orientational glass
• phonons
• TR-coupling.

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