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This thesis consists of a theoretical analysis of charged domain walls in ferroelectrics based on Landau theory and the theory of semiconductors. First, the internal structure of a 180-degree charged domain wall is considered. It is shown that different re ...
We have studied the polarization-electric-field hysteresis, the dielectric permittivity dispersion, the piezoelectric properties, the electric-field-induced strain, and the interrelations between these properties for bismuth ferrite (BiFeO3) ceramics. The ...
The availability of reliable constitutive models linking he bulk electric properties of porous media to their inner structure is a key requirement for useful quantitative applications of noninvasive methods. This study focuses on the use of dielectric meas ...
We formulate an approach to the size effect problem in ferroelectric-electrode systems where ab initio calculations are combined with a phenomenological framework. The parameters of the model can be extracted from the calculations, while experimentally ver ...
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The integration of ferroelectrics in electronic devices requires that they be used in the form of thin films, which implies that for such systems finite-size effects related to the presence of a ferroelectric-electrode interface become important. In this t ...
The capability of switching the spontaneous polarisation under an applied electric field in ferroelectric materials can be exploited for the use in low power, non-volatile, re-writable memory devices. Currently available commercially is ferroelectric rando ...
We report a first-principles investigation of ultrathin BaTiO3 films with SrRuO3 electrodes. We find that the ionic relaxations in the metal-oxide electrode play a crucial role in stabilizing the ferroelectric phase. Comparison with frozen-phonon calculati ...
Relaxor-ferroelectric single crystals PZN-xPT [(1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3] and PMN-xPT [(1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3] continue to attract much interest due to their anomalously large piezoelectric properties (d33 > 2000 pm/V; k33 > 90%) when poled ("do ...
We characterize the response of isolated single-wall (SWNT) and multiwall (MWNT) carbon nanotubes and nanotube bundles to static electric fields using first-principles calculations and density-functional theory. The longitudinal polarizability of SWNTs sca ...
Head-to-head and tail-to-tail 180 degrees domain walls in a finite isolated ferroelectric sample are theoretically studied using Landau theory. The full set of equations, suitable for numerical calculations, is developed. The explicit expressions for the p ...