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20082019
most citedAb initio lattice dynamics simulations and inelastic neutron scattering spectra for studying phonons in BaFe2As2: Effect of structural phase transition, structural relaxation and magnetic ordering

71 citations · 118 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2019★ 23 cited

Lithium Diffusion in Li2X(X=O, S and Se): Ab-initio Simulations and Neutron Inelastic Scattering Measurements

M. K. Gupta, Baltej Singh, Prabhatasree Goel +3

We have performed ab-initio lattice dynamics and molecular dynamics studies of Li2X (X=O, S and Se) to understand the ionic conduction in these compounds. The inelastic neutron sca…