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

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

Anja Skrivervik, Zvonimir Sipus

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 ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2021

Fabrication and applications of AuAg alloy metasurfaces and hybrid metal dielectric nanoantennas

Debdatta Ray

The most prevalent materials used in the field of plasmonics are Au and Ag. However, for the past few years, the plasmonic community has also been looking for alternative materials that have lower losses than Au and higher stability than Ag. This thesis is ...

EPFL2021

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

Multi-scale approach for the prediction of atomic scale properties

Michele Ceriotti, Jigyasa Nigam, Andrea Grisafi

Electronic nearsightedness is one of the fundamental principles that governs the behavior of condensed matter and supports its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of machine-learning ...

2021

Physics-enhanced machine learning with symmetry-adapted and long-range representations

Andrea Grisafi

Theoretical and computational approaches to the study of materials and molecules have, over the last few decades, progressed at an exponential rate. Yet, the possibility of producing numerical predictions that are on par with experimental measurements is t ...

EPFL2021

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

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

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

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

Iurii Timrov

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 ...

AMER PHYSICAL SOC2020

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

Véronique Michaud, Yves Leterrier, Dragan Damjanovic, Sara Dalle Vacche

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 ...

2020

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Fabrication and applications of AuAg alloy metasurfaces and hybrid metal dielectric nanoantennas

Debdatta Ray

EPFL2021

Individual Barkhausen Pulses of Ferroelastic Nanodomains

Dragan Damjanovic, Vasiliki Tileli, Reinis Ignatans

2021

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

Anja Skrivervik, Zvonimir Sipus

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2021

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

Véronique Michaud, Yves Leterrier, Dragan Damjanovic, Sara Dalle Vacche

2020