Abstract
We report here inelastic neutron scattering, lattice dynamics calculations and relative high pressure stability of LuVO4. We have developed transferable interatomic potentials to study the lattice dynamics and model the experimentally obtained phonon density of states in LuVO4. The parameters of the theoretical interatomic potential have been fitted with respect to experimentally available Raman and infrared frequencies and equilibrium structure. We have also studied the stability of the zircon structure at ambient temperature with increasing pressure. We find that zircon phase (I41/amd) goes into a scheelite phase (I41/a) at around 8 GPa which is in excellent agreement with reported value of 7.9 GPa.
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