Low-Frequency Dielectric Response of Tetragonal Perovskite CH3NH3PbI3
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We propose a model to determine the influence of different cell properties, such as size, membrane capacitance and cytoplasm conductivity, on the impedance spectrum as measured in a microfabricated cytometer. A dielectric sphere of equivalent complex permi ...
Ferroelectric thin films are widely studied nowadays as potential replacements for semiconductors in modern tunable microwave devices such as tunable filters, phase-shifters, frequency mixers, power dividers, etc. Recent progress in the deposition of compl ...
Using density-functional theory, we investigate the structural, vibrational, and dielectric properties of Hf and Zr oxides and silicates which have drawn considerable attention as alternative high-kappa materials. For the silicates, we consider hafnon HfSi ...
2004
We address the dielectric constant (or the polarizability for an isolated system) as obtained in density-functional supercell calculations with a discrete k-point sampling. We compare a scheme based on conventional perturbational theory to one based on a d ...
2003
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A model of the quasi-Debye loss mechanism in SrTiO3 and Ba0.6Sr0.4TiO3 perovskite ferroelectrics at microwave frequencies is presented. The field dependence and the size of the field-induced quasi-Debye loss contribution in SrTiO3 and Ba0.6Sr0.4TiO3 system ...
2005
Homogeneous electric fields are treated within density functional calculations with periodic boundary conditions. A nonlocal energy functional depending on the applied field is used within an ab initio molecular dynamics scheme. The reliability of the meth ...
2004
We study the dielectric susceptibility of liquid hydrogen chloride at a temperature of 313 K using ab initio molecular dynamics evolving, in a homogeneous electric field. For an evolution in absence of electric field, the calculated neutron structure facto ...
2004
We introduce a variational total-energy functional to treat finite homogeneous electric fields with periodic boundary conditions and show that this functional can be implemented within a Car-Parrinello molecular dynamics scheme. The Coupling to an electric ...
2003
We propose a definition for the dipole of an individual molecule in a molecular solid or fluid. This problem is currently dealt with by partitioning-according to some prescription-the continuous electron density of the condensed phase. Instead, here we foc ...
2003
Using a density-functional approach, we study the dielectric permittivity across interfaces at the atomic scale. Focusing on the static and high-frequency permittivities of SiO2 films on silicon, for oxide thicknesses from 12 Angstrom down to the atomic sc ...
