43 citations · 358 across the 26 of their papers we have counts for
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Dynamics of Na Ion in the Amorphous Na2Si2O5 Using Quasielastic Neutron Scattering and Molecular Dynamics Simulations
Mayanak K. Gupta, Sanjay K. Mishra, Ranjan Mittal +7
We have investigated the dynamics of Na ions in amorphous Na2Si2O5, a potential solid electrolyte material for Na-battery. We have employed quasielastic neutron scattering (QENS) t…
Phonons and Anomalous Lattice Behaviour in KMnAg3(CN)6 and KNiAu3(CN)6: Inelastic Neutron Scattering and First-Principles Calculations
Baltej Singh, Mayanak K. Gupta, Ranjan Mittal +4
Cyanide based framework compounds are known to show large negative thermal expansion behaviour. Here we report the phonon and anomalous lattice behavior of two metal cyanide framew…
Dynamics of Li-ion in V2O5 Layers from First-Principles Calculations
Baltej Singh, M. K. Gupta, R. Mittal +1
The alkali atoms, due to their small sizes and low charge ionic states, are most eligible to intercalate in the structural layers of V2O5. We have applied ab-initio density functio…
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…
Phonons and Anisotropic Thermal Expansion Behaviour of NiX (X = S, Se, Te)
Prabhatasree Goel, M. K. Gupta, S. K. Mishra +5
Metal Chalcogenides have been known for important technological applications and have attracted continuous interest in their structure, electronic, thermal and transport properties…
Phonon Dispersion Relation, High-Pressure Phase Stability and Thermal Expansion in YVO4
R. Mittal, M. K. Gupta, Baltej Singh +3
The orthovanadates are useful as host matrices for immobilization of radioactive wastes. The thermodynamic stability of these materials is crucial for their applications in high pr…