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Publications associées (32)

Optical properties of in vacuo lithiated nanoporous WO3:Mo thin films as determined by spectroscopic ellipsometry

Andreas Schueler, Josef Andreas Schuler, Maxime Lagier, Olivia Valérie Charlotte Bouvard, Luc Burnier, Aurélien Bertinotti

Incorporation of Mo into pure WO3 thin films is of interest for electrochromic devices, as it improves colour neutrality in the dark state. Existing literature still lacks reliable quantitative data on the complex dielectric function of such coatings. In t ...

2021

Low-Frequency Dielectric Response of Tetragonal Perovskite CH3NH3PbI3

Alfredo Pasquarello, Julia Anna Wiktor, Ethan Alexandre Berger

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 ...

AMER CHEMICAL SOC2020

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

Alfredo Pasquarello, Aleksei Tal

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 ...

2020

Phase transitions, screening and dielectric response of CsPbBr3

Dominik Józef Kubicki

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 ...

Royal Society of Chemistry2020

Linear studies of spurious backward-wave instabilities in a dielectric-loaded smooth-wall gyrotron beam ducts

Stefano Alberti, Jean-Philippe Hogge, Jérémy Genoud

Recently developed self-consistent models for beam-wave interaction simulations of a gyrotron oscillator have been extended to study spurious backward-wave instabilities in smooth-wall circular symmetric beam ducts. Starting from a purely metallic case, th ...

IEEE2020

Finite-size corrections of defect energy levels involving ionic polarization

Alfredo Pasquarello, Stefano Falletta, Julia Anna Wiktor

We develop a scheme for finite-size corrections of vertical transition energies and single-particle energy levels involving defect states with built-in ionic polarization in supercell calculations. The method accounts on an equal footing for the screening ...

2020

Individual Barkhausen Pulses of Ferroelastic Nanodomains

Dragan Damjanovic, Vasiliki Tileli, Reinis Ignatans

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 ...

2021

SIMPLE code: Optical properties with optimal basis functions

Nicola Marzari, Gianluca Prandini, Paolo Umari

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 ...

ELSEVIER SCIENCE BV2019

Grand canonical simulations of electrochemical interfaces in implicit solvation models

Nicola Marzari, Oliviero Andreussi, Nicolas Georg Hörmann

We discuss grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments. Water is represented using implicit solvation, here via the self-c ...

AMER INST PHYSICS2019

Study of self-sensing actuation strategies for quasi-static piezoelectric actuators

Yves Perriard, Louis Antoine Masson

Self-sensing actuation in piezoelectric actuators has been a growing research topic since 1992, with two main approaches having been identified: either by evaluating the dielectric displacement field within the piezoelectric through a measurement bridge, e ...

IEEE2019

Modeling Dielectric Constant Variability in Aggregate Polymers from CV Measurements

Marco Mattavelli, Jean-Michel Sallese, Catherine Dehollain, Diego Ruben Barrettino

Recently a new technique based on capacitive sensing has been developed and used to estimate the amount of moisture in polymers by means of the deviation of the dielectric constant. This technique is expected to be used for in-line monitoring of aggregate ...

IEEE2019

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

Philippe Renaud, Jonathan Bastien Cottet

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 ...

2019

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