Related publications (131)

First-principles study of dynamical and dielectric properties of tetragonal zirconia

Alfredo Pasquarello

Using the variational density-functional perturbation theory, we investigate the dynamical and dielectric properties of tetragonal zirconia (t-ZrO2). We obtain the phonon frequencies at the center of the Brillouin zone, the Born effective charge tensors, a ...
2001

First-principles study of structural, electronic, dynamical, and dielectric properties of zircon

Alfredo Pasquarello

We investigate structural, electronic, dynamical, and dielectric properties of zircon (ZrSiO4) within density-functional theory. The atomic structure is fully relaxed and the structural parameters are found to differ by less than 1.5% from the experimental ...
2001

Characterization of the effective electrostriction coefficients in ferroelectric thin films

Nava Setter

Electromechanical properties of a number of ferroelectric films including PbZrxTi1-xO3(PZT), 0.9PbMg(1/3)Nb(2/3)O(3)-0.1PbTiO(3)(PMN-PT), and SrBi2Ta2O9(SBT) are investigated using laser interferometry combined with conventional dielectric measurements. Ef ...
2001

Dielectric response of oxides in the weighted density approximation

Nicola Marzari

Calculations of the static dielectric response epsilon (infinity) of some simple oxide and mixed transition-metal oxide insulators using the weighted density approximation are reported, including in particular the perovskites KNbO3, KTaO3, and BaTiO3. The ...
2000

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