Capturing EELS in the reciprocal space

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Design of medical sensor implants is very challenging due to numerous restrictions in terms of size and biological acceptability. In addition, large absorption and reflection of electromagnetic waves in body tissues significantly degrades the communication ...

We investigate optical absorption spectra obtained through time-dependent density functional theory (TD-DFT) based on nonempirical hybrid functionals that are designed to correctly reproduce the dielectric function. The comparison with state-of-the-art GW ...

The activation of small molecule is a topic of high current interest. A variety of homogeneous end heterogeneous catalysts have been studied to be able to promote chemical transformation of industrial relevance under mild condition and therefore decrease t ...

The implementation of ultrasoft pseudopotentials into time-dependent density-functional perturbation theory is detailed for both the Sternheimer approach and the Liouville-Lanczos (LL) method, and equations are presented in the scalar relativistic approxim ...

The Thermal Boundary Conductance (TBC) at the interface between metals and dielectrics is of key importance for heat transport in structures heterogeneous on a scale from 100 µm downwards. In this thesis the TBC of a large number of metal/dielectric couple ...

We present SIMPLE, a code developed to calculate optical properties of metallic and insulating extended systems using the optimal basis method originally proposed by E.L. Shirley in 1996. Two different approaches for the evaluation of the complex dielectri ...

The dielectric properties of tetragonal hybrid perovskite CH3NH3PbI3 are studied through molecular dynamics at a temperature of 300 K in the presence of a finite electric field. The high-frequency dielectric constant epsilon(infinity), is found to be 4.5 a ...

Dielectrophoresis (DEP) and electrorotation (ROT) are two electrokinetic phenomena exploiting nonuniform electric fields to exert a force or torque on biological particles suspended in liquid media. They are widely used in lab-on-chip devices for the manip ...

Cesium-lead-bromide (CsPbBr3) is the simplest all inorganic halide perovskite. It serves as a reference material for understanding the exceptional solar cell properties of the organic-inorganic hybrid halide perovskites and is itself discussed as an altern ...

Gold and copper are the only two elemental metals that show a characteristic colour, due to the presence of a drop in the reflectivity curve inside the visible range. Reflectivities of all other metals are in general high and flat for all visible frequenci ...

Ferroelectric materials, upon electric field biasing, display polarization discontinuities known as Barkhausen jumps, a subclass of a more general phenomenon known as crackling noise. Herein, we follow at the nanoscale the motion of 90 degree needle domain ...

In this paper, we demonstrate the fabrication of contour-mode resonators (CMRs) with Al0.83Sc0.17N as a piezoelectric layer. Moreover, we assess the electromechanical coupling and the maximum achieved quality factor from 150 to 500 MHz. In comparison to pu ...

Composites in which particles of ferroelectric ceramic phase are randomly dispersed in a polymeric matrix are of interest because of flexibility, conformability, and ease of processing. However, their piezoelectric properties are rather low, unless very hi ...

The lack of soft high-dielectric-permittivity elastomers responsive to a low voltage has been a long-standing obstacle for the industrialization of dielectric elastomer actuators (DEA) technology. Here, elastomers that not only possess a high dielectric pe ...

Capturing EELS in the reciprocal space

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Influence of Uncertainty of Body Permittivity on Achievable Radiation Efficiency of Implantable Antennas-Stochastic Analysis

Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

Activation of small molecules promoted by multimetallic complexes supported by redox active ligands

Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method

Heat-transfer at the interface between a metal and a non-metal: influence of ultra-thin interlayers, interface chemistry and atomic order

SIMPLE code: Optical properties with optimal basis functions

Low-Frequency Dielectric Response of Tetragonal Perovskite CH3NH3PbI3

MyDEP: A New Computational Tool for Dielectric Modeling of Particles and Cells

Phase transitions, screening and dielectric response of CsPbBr3

Predicting the reflectivity and colour of metals from first principles

Individual Barkhausen Pulses of Ferroelastic Nanodomains

Al0.83Sc0.17N Contour-Mode Resonators With Electromechanical Coupling in Excess of 4.5%

Interface-Dominated Time-Dependent Behavior of Poled Poly(Vinylidene Fluoride–Trifluoroethylene)/Barium Titanate Composites

Artificial Muscles: Dielectric Elastomers Responsive to Low Voltages