Zobrazeno 1 - 10
of 426
pro vyhledávání: '"Chaplot, S."'
Autor:
Kumar, Sajan, Gupta, M. K., Goel, Prabhatasree, Mittal, R., Delaire, Olivier, Thamizhavel, A., Rols, S., Chaplot, S. L.
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 diffusion. In this paper, we clarify the atomic dynamics of these compounds wi
Externí odkaz:
http://arxiv.org/abs/2201.00606
Autor:
Goel, Prabhatasree, Gupta, M. K., Mittal, R., Skinner, S. J., Rols, S. Mukhopadhyay S., Chaplot, S. L.
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 inelastic neutron scattering. Ab-initio calculations have been used to compute
Externí odkaz:
http://arxiv.org/abs/2002.05401
Raman Spectroscopic measurements are carried out to investigate the structural phase transitions as a function of composition in modified sodium niobate [(1-x) NaNbO3-xBaTiO3:NNBTx] for x=0.0 to 0.15 at room temperature. The characteristic antiferroe
Externí odkaz:
http://arxiv.org/abs/1904.05638
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 functional theory to study the dynamics of Li-ion in layers of {\alpha}-V2O5.
Externí odkaz:
http://arxiv.org/abs/1904.00681
Publikováno v:
Phys. Rev. B 99, 224304 (2019)
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 scattering measurements on Li2O have been performed across its superionic
Externí odkaz:
http://arxiv.org/abs/1903.08980
Publikováno v:
Phys. Rev. Materials 3, 043608 (2019)
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 pressure and temperatures environment. It is necessary to investigate th
Externí odkaz:
http://arxiv.org/abs/1902.08004
Autor:
Goel, Prabhatasree, Gupta, M. K., Mishra, S. K., Singh, Baltej, Mittal, R., Sastry, P. U., Thamizhavel, A., Chaplot, S. L.
Metal Chalcogenides have been known for important technological applications and have attracted continuous interest in their structure, electronic, thermal and transport properties. Here we present first principles calculations of the vibrational and
Externí odkaz:
http://arxiv.org/abs/1902.08005
Publikováno v:
Phys. Rev. B 98, 224303 (2018)
The hydration and ammonization of ZrW2O8 is known to lead to positive and negative thermal expansion behaviour respectively. We report ab-initio calculations to understand this anomalous behaviour. We identify the crucial low energy phonon modes invo
Externí odkaz:
http://arxiv.org/abs/1809.06149
Publikováno v:
Appl. Phys. Lett. 112, 182905 (2018)
We have carried out systematic temperature-dependent neutron diffraction measurements in conjunction with dielectric spectroscopy from 6 to 300 K for sodium niobate based compounds (1-x) NaNbO3 -xBaTiO3 (NNBTx). The dielectric constant is measured bo
Externí odkaz:
http://arxiv.org/abs/1804.07561
Publikováno v:
Phys. Chem. Chem. Phys., 20, 12248 (2018)
We have used ab-initio density functional theory technique to understand the phase transitions and structural changes in various high temperature/pressure phases of LiAlO2. The electronic band structure as well as phonon spectra are calculated for va
Externí odkaz:
http://arxiv.org/abs/1804.05627