Physics – Condensed Matter – Materials Science
Scientific paper
2005-09-13
Physics
Condensed Matter
Materials Science
Accepted in J. Phys.: Condens. Matter
Scientific paper
10.1088/0953-8984/17/39/006
We report a phonon density of states measurement of $\alpha$-ZnCl$_{2}$ using the coherent inelastic neutron scattering technique and a lattice dynamical calculation in four crystalline phases of ZnCl$_{2}$ using a transferable interatomic potential. The model calculations agree reasonably well with the available experimental data on the structures, specific heat, Raman frequencies and their pressure variation in various crystalline phases. The calculated results have been able to provide a fair description of the vibrational as well as the thermodynamic properties of ZnCl$_{2}$ in all its four phases.
Chaplot Samrath L.
Mittal Rajat
Rao Mala N.
Sen Abhijit
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