Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol
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We develop a theory for investigating atomic-scale dielectric permittivity profiles across interfaces between insulators. A local susceptibility chi(x;omega) is introduced to describe variations of the dielectric response over length scales of the order of ...
Pb(Mg1/3Nb2/3)O-3 thin films were prepared from modified alkoxide solution precursors and their dielectric and electromechanical characteristics were investigated. Preparation of the films is very sensitive to processing parameters. The influence of differ ...
Dielectric permittivity of PbMg1/3Nb2/3O3 (PMN) relaxor was investigated as a function of DC bias and AC driving field. In single crystals, DC and AC field effects exhibited very different behavior, including anisotropy and sign of the effect. It was shown ...
It is shown that the effects of large de bias and ac driving fields on the dielectric permittivity of single crystals of PbMg1/3Nb2/3O3 (PMN) relaxer ferroelectric exhibit very different behavior, including anisotropy and sign of the effect, which is trace ...
The evolution of switching polarization (P-r(s)) suppression, in Pb(Zr,Ti)O-3 films, induced by two different electric treatments is addressed in terms of the nonlinear dielectric response. The ac electric field dependence of dielectric permittivity was co ...
We investigate the dielectric permittivity of SiO2 on Si(100) substrates using a first-principles approach. It is shown that both the static and high-frequency dielectric constants of the oxide overlayer increase when the oxide thickness is reduced. This b ...
Using density-functional theory, we compute the optical and static dielectric constants for a set of Zr silicates modeled by various SiO2 crystals, with Zr atoms substitutional to Si, and by an amorphous structure. We then derive a microscopic scheme that ...
Relaxor Pb(Mg1/3Nb2/3)O3(PMN) and its solid solutions with ferroelectric PbTiO3 (PT) are of considerable interest from both the applications and the scientific point of view. In the past, many attempts were made to prepare and study the properties of these ...
The contribution of domain walls to the dielectric permittivity of ferroelectrics is customarily explained by the model of locally pinned walls. Here we analyze the complementary case and calculate wall contribution to permittivity of a sample in which 180 ...
Pyrochlore free 0.9Pb(Mg1/3Nb2/3)O-3-0.1PbTiO(3) thin films were prepared from alkoxide-based solution precursors. Preferential (111) crystallographic orientation was obtained on TiO2/Pt/TiO2/SiO2/Si substrates by spin coating. Dielectric, electrostrictive ...
