Výsledky vyhledávání - "Choudhury, Narayani"

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Geometric frustration in compositionally modulated ferroelectrics

Autor: Choudhury, Narayani, Walizer, Laura, Lisenkov, Sergey, Bellaiche, L.

Publikováno v: Nature 470, 513-517 (2011)

Geometric frustration is a broad phenomenon that results from an intrinsic incompatibility between some fundamental interactions and the underlying lattice geometry1-7. Geometric frustration gives rise to new fundamental phenomena and is known to yie

Externí odkaz: http://arxiv.org/abs/1110.5547

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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

Autor: Choudhury, Narayani, Walter, E. J., Kolesnikov, A. I., Loong, C. -K.

Publikováno v: Phys. Rev. B 77, 134111 (2008) (10 pages)

We report first principles density functional perturbation theory calculations and inelastic neutron scattering measurements of the phonon density of states, dispersion relations and electromechanical response of PbTiO3, BaTiO3 and SrTiO3. The phonon

Externí odkaz: http://arxiv.org/abs/0803.1729

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First principles studies of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3)

Autor: Choudhury, Narayani, Cohen, R. E., Walter, Eric J.

Publikováno v: Computational Materials Science Vol. 37, 152-158 (2006)

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 the Born charge tensors as charge ellipsoids have provided microscopic i

Externí odkaz: http://arxiv.org/abs/cond-mat/0508661

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Ab initio linear response and frozen phonons for the relaxor PMN (PbMg1/3Nb2/3O3)

Autor: Choudhury, Narayani, Wu, Zhigang, Walter, E. J., Cohen, R. E.

Publikováno v: Phys. Rev. B 71, 125134 (2005)

We report first principles density functional studies using plane wave basis sets and pseudopotentials and all electron linear augmented plane wave (LAPW) of the relative stability of various ferroelectric and antiferroelectric supercells of PMN for

Externí odkaz: http://arxiv.org/abs/cond-mat/0409273

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