106 citations · 333 across the 7 of their papers we have counts for
7 papers
High-Temperature Phonon Spectra of Multiferroic BiFeO3 from Inelastic Neutron Spectroscopy
M. Zbiri, H. Schober, N. Choudhury +5
We report inelastic neutron scattering measurements of the phonon spectra in a pure powder sample of the multiferroic material BiFeO3. A high-temperature range was covered to unrav…
Geometric frustration in compositionally modulated ferroelectrics
Narayani Choudhury, Laura Walizer, Sergey Lisenkov +1
Geometric frustration is a broad phenomenon that results from an intrinsic incompatibility between some fundamental interactions and the underlying lattice geometry1-7. Geometric f…
Origin of the large phonon band-gap in SrTiO3 and the vibrational signatures of ferroelectricity in ATiO3 perovskite: First principles lattice dynamics and inelastic neutron scattering of PbTiO3, BaTiO3 and SrTiO3
Narayani Choudhury, E. J. Walter, A. I. Kolesnikov +1
We report first principles density functional perturbation theory calculations and inelastic neutron scattering measurements of the phonon density of states, dispersion relations a…
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…
Ab initio studies of phonon softening and high pressure phase transitions of alpha-quartz SiO2
N. Choudhury, S. L. Chaplot
Density functional perturbation theory calculations of alpha-quartz using extended norm conserving pseudopotentials have been used to study the elastic properties and phonon disper…
First principles studies of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3)
Narayani Choudhury, R. E. Cohen, Eric J. Walter
We report first principles density functional calculations of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3). Visualization of th…