71 citations · 118 across the 3 of their papers we have counts for
3 papers
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…
cond-mat.mtrl-sci2014★ 24 cited
Inelastic Neutron Scattering Studies of Phonon Spectra and Simulations in Tungstates, AWO4 (A = Ba, Sr, Ca and Pb)
Prabhatasree Goel, M. K. Gupta, R. Mittal +4
Lattice dynamics and high pressure phase transitions in AWO4 (A = Ba, Sr, Ca and Pb) have been investigated using inelastic neutron scattering experiments, ab-initio density functi…
cond-mat.supr-con2008★ 71 cited
Ab initio lattice dynamics simulations and inelastic neutron scattering spectra for studying phonons in BaFe2As2: Effect of structural phase transition, structural relaxation and magnetic ordering
M. Zbiri, H. Schober, M. R. Johnson +5
We have performed extensive ab initio calculations to investigate phonon dynamics and their possible role in superconductivity in BaFe2As2 and related systems. The calculations are…