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Collective dynamics in crystalline polymorphs of ZnCl: potential modelling and inelastic neutron scattering study
A. Sen, Mala N. Rao, R Mittal +1
We report a phonon density of states measurement of -ZnCl using the coherent inelastic neutron scattering technique and a lattice dynamical calculation in four crystalline…
First principles studies of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3)
Narayani Choudhury, R. E. Cohen, Eric J. Walter
We report first principles density functional calculations of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3). Visualization of th…
Lattice vibrations in high-pressure phases of LiYF
A. Sen, S. L. Chaplot, R. Mittal
Possible variations in the dynamical behaviour of LiYF due to its several structural changes under pressure are examined by making use of the complementary techniques of quas…
Ab initio linear response and frozen phonons for the relaxor PMN (PbMg1/3Nb2/3O3)
Narayani Choudhury, Zhigang Wu, E. J. Walter +1
We report first principles density functional studies using plane wave basis sets and pseudopotentials and all electron linear augmented plane wave (LAPW) of the relative stability…