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Lattice Dynamics of Ammonium Halides

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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 NH4CI, NH4Br and NH4I crystals in (q00), (qq0) and (qqq) symmetry directions near λ transition temperature. These frequencies are plotted as a function of wave vector κ. Although no experimental data is available except for NH4CI (at room temperature), our PDCs for these compounds have shown the same trend as exhibited by the other orientationally disordered materials. There is softening in acoustic branches in (q00) and (qq0) directions as a result of translation-rotation coupling.
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Keywords: Phonon; TR coupling

Document Type: Research Article

Affiliations: 1: Department of Physics, Government MotilalVigyanMahavidyalay, Bhopal 462002, India 2: Superconductivity Research Laboratory, Department of Physics, Barkatullah University, Bhopal 462026, (M.P.), India

Publication date: November 1, 2016

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