24 citations · 104 across the 12 of their papers we have counts for
12 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…
Spin-Phonon Coupling and Thermodynamic Behaviour in YCrO3 and LaCrO3: Inelastic Neutron Scattering and Lattice Dynamics
Mayanak K. Gupta, Ranjan Mittal, Sanjay K. Mishra +4
We report detailed temperature-dependent inelastic neutron scattering and ab-initio lattice dynamics investigation of magnetic perovskites YCrO3 and LaCrO3. The magnetic neutron sc…
Phonons and Oxygen Diffusion in Bi2O3 and (Bi0.7Y0.3)2O3
Prabhatasree Goel, M. K. Gupta, R. Mittal +3
We report investigation of phonons and oxygen diffusion in Bi2O3 and (Bi0.7Y0.3)2O3. The phonon spectra have been measured in Bi2O3 at high temperatures up to 1083 K using inelasti…
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…
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…
New Insights into the Compressibility and High-Pressure Stability of Ni(CN)2 from Neutron Diffraction, Raman Spectroscopy and Inelastic Neutron Scattering
S. K. Mishra, R. Mittal, M. Zbiri +7
The layered structure of tetragonal Ni(CN)2, consisting of square-planar Ni(CN)4 units linked in the a-b plane, with no true periodicity along the c-axis, is expected to show aniso…
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…
Phonons and Thermodynamics of LiMPO4 (M=Mn, Fe)
Prabhatasree Goel, M. K. Gupta, R. Mittal +5
Lithium transition metal phospho-olivines are useful electrode materials, owing to their stability, high safety, low cost and cyclability. We report phonon studies using neutron in…
Behavior of Lithium Oxide at Superionic Transition: First Principles and Molecular Dynamics Studies
M. K. Gupta, Prabhatasree Goel, R. Mittal +2
We report studies on the vibrational and elastic behavior of lithium oxide, Li2O around its superionic transition temperature. Phonon frequencies calculated using the ab-initio and…
Fast ion diffusion, superionic conductivity and phase transitions of the nuclear materials UO2 and Li2O
Prabhatasree Goel, N. Choudhury, S. L. Chaplot
Lattice dynamics and molecular dynamics studies of the oxides UO2 and Li2O in their normal as well as superionic phase are reported. Lattice dynamics calculations have been carried…