C. Bungaro

collaborators

3 papers

cond-mat.mtrl-sci2004

Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO $_{3}$ (001) surface

Claudia Bungaro, K. M. Rabe

The c(2 $\times$ 2) reconstruction of (001) PbTiO $_{3}$ surfaces is studied by means of first principles calculations for paraelectric (non-polar) and ferroelectric ([001] polarized) f…

cond-mat.mtrl-sci2003

Epitaxially strained [001]-(PbTiO $_{3}$ ) $_{1}$ (PbZrO $_{3}$ ) $_{1}$ superlattice and PbTiO $_{3}$ from first principles

Claudia Bungaro, K. M. Rabe

The effect of layer-by-layer heterostructuring and epitaxial strain on lattice instabilities and related ferroelectric properties is investigated from first principles for the [001…

cond-mat.mtrl-sci2003

First-principles study of lattice instabilities in the ferromagnetic martensite Ni $_{2}$ MnGa

Claudia Bungaro, K. M. Rabe, A. Dal Corso

The phonon dispersion relations and elastic constants for ferromagnetic Ni $_{2}$ MnGa in the cubic and tetragonally distorted Heusler structures are computed using density-functional…

Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO3​ (001) surface

Epitaxially strained [001]-(PbTiO3​)1​(PbZrO3​)1​ superlattice and PbTiO3​ from first principles

First-principles study of lattice instabilities in the ferromagnetic martensite Ni2​MnGa

Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO $_{3}$ (001) surface

Epitaxially strained [001]-(PbTiO $_{3}$ ) $_{1}$ (PbZrO $_{3}$ ) $_{1}$ superlattice and PbTiO $_{3}$ from first principles

First-principles study of lattice instabilities in the ferromagnetic martensite Ni $_{2}$ MnGa