114 citations · 896 across the 69 of their papers we have counts for
66 papers
Soft Anharmonic Coupled Vibrations of Li and SiO4 Enable Li-ion Diffusion in Amorphous Li2Si2O5
Sajan Kumar, Mayanak K. Gupta, Prabhatasree Goel +7
We present the investigations on atomic dynamics and Li+ diffusion in crystalline and amorphous Li2Si2O5 using quasielastic (QENS) and inelastic neutron scattering (INS) studies su…
Solid-like to Liquid-like Behavior of Cu Diffusion in Superionic Cu2X (X=S, Se): An Inelastic Neutron Scattering and Ab-Initio Molecular Dynamics Investigation
Sajan Kumar, M. K. Gupta, Prabhatasree Goel +5
Cu2Se and Cu2S are excellent model systems of superionic conductors with large diffusion coefficients that have been reported to exhibit different solid-liquid-like Cu-ion diffusio…
Sodium Diffusion and Dynamics in Na2Ti3O7: Neutron Scattering and Ab-initio Simulations
Ranjan Mittal, Sajan Kumar, Mayanak K. Gupta +7
We have performed quasielastic and inelastic neutron scattering (QENS and INS) measurements from 300 K to 1173 K to investigate the Na-diffusion and underlying host dynamics in Na2…
Stoichiometric Tuning of Lattice Flexibility and Na Diffusion in NaAlSiO4: Quasielastic Neutron Scattering Experiment and Ab-initio Molecular Dynamics Simulations
Mayanak K. Gupta, Ranjan Mittal, Sajan Kumar +7
We have performed quasielastic neutron scattering (QENS) experiments up to 1243 K and ab-initio molecular dynamics (AIMD) simulations to investigate the Na diffusion in various pha…
Phase Transition Mechanism of Hexagonal Graphite to Hexagonal and Cubic Diamond: Ab-initio Simulation
Ranjan Mittal, Mayanak Kumar Gupta, Samrath Lal Chaplot
We have performed ab-initio molecular dynamics simulations to elucidate the mechanism of the phase transition at high pressure from hexagonal graphite (HG) to hexagonal diamond (HD…
Pbnm to R3-c phase transformation in (1-x)LaFeO3.xLaMnO3 solid solution due to modifications in structure, octahedral tilt and valence states of Fe-Mn
E. G. Rini, Mayanak. K. Gupta, R. Mittal +3
A theoretically supported experimental study of the (1-x)LaFeO3.xLaMnO3 (LFO-LMO) solid solution is being reported for the first time which reveals a phase transformation from the…