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Density functional theory with finite electric field

Related publications (31)

Automated all-functionals infrared and Raman spectra

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Nature Portfolio2024

A Spectral Ansatz for The Long-Time Homogenization of The Wave Equation

Matthias Ruf, Matthias Benjamin Ruf

Consider the wave equation with heterogeneous coefficients in the homogenization regime. At large times, the wave interacts in a nontrivial way with the heterogeneities, giving rise to effective dispersive effects. The main achievement of the present wor ...

Ecole Polytechnique2024

Pyroresistive response of percolating conductive polymer composites

Claudio Grimaldi

The pyroresistive response of conductive polymer composites (CPCs) has attracted much interest because of its potential applications in many electronic devices requiring a significant responsiveness to changes in external physical parameters such as temper ...

Amer Physical Soc2024

Re-design of EU DEMO with a low aspect ratio

Hartmut Zohm

The design point that had been chosen for EU DEMO in 2016 is reviewed here and a modification is proposed with a lower aspect ratio. Previously the same aspect ratio, A, was chosen for EU DEMO as in major tokamak experiments including ITER (A = 3.1), and, ...

2024

Direct observations of X-rays produced by upward positive lightning

Farhad Rachidi-Haeri, Marcos Rubinstein, Antonio Sunjerga, Thomas Chaumont

X-rays have been observed in natural downward cloud-to-ground lightning for over 20 years and in rocket-triggered lightning for slightly less. In both cases, this energetic radiation has been detected during the stepped and dart leader phases of downward n ...

Nature Publishing Group2024

Measuring electrical properties in semiconductor devices by pixelated STEM and off-axis electron holography (or convergent beams vs. plane waves)

Victor Carle Adrien Boureau

We demonstrate the use of both pixelated differential phase contrast (DPC) scanning transmission electron microscopy (STEM) and off-axis electron holography (EH) for the measurement of electric fields and assess the advantages and limitations of each techn ...

Pergamon-Elsevier Science Ltd2024

Characterization of low-temperature plasmas generated by dielectric barrier discharges for bacterial inactivation

Lorenzo Ibba

Low-temperature plasmas (LTPs) at atmospheric pressure hold great promise for disinfection and sterilization applications. When compared to traditional sterilization technologies like autoclaving, LTPs may offer several benefits, including reduced energy c ...

EPFL2024

Soft Robotics: A Route to Equality, Diversity, and Inclusivity in Robotics

Josephine Anna Eleanor Hughes

Robotics is entering our daily lives. The discipline is increasingly crucial in fields such as agriculture, medicine, and rescue operations, impacting our food, health, and planet. At the same time, it is becoming evident that robotic research must embrace ...

Mary Ann Liebert, Inc2024

Global fluid simulation of plasma turbulence in stellarators with the GBS code

Joaquim Loizu Cisquella, Paolo Ricci, António João Caeiro Heitor Coelho

The implementation of three-dimensional magnetic fields, such as the ones of stellarators, in the GBS code (Ricci et al 2012 Plasma Phys. Control. Fusion54 124047; Giacomin et al 2022 J. Comput. Phys.464 111294) is presented, and simulation results are dis ...

IOP Publishing Ltd2024

Tri-axial H-Field Sensor with Frequency-shaped Response in the band 400 MHz - 6 GHz

German Augusto Ramirez Arroyave

This contribution presents an isotropic field probe to assess human exposition to broadband magnetic fields in the 400 MHz to 6 GHz band according to the ICNIRP 2020 guidelines. This device complements the current practice in this band, based on the measur ...

IEEE2023

Charging and Electric Field Effects on Hydrogen Molecules Physisorbed on Graphene

Klaus Kern, Shai Mangel, Alessio Scavuzzo, Tobias Wollandt

Molecular hydrogen adsorbed on graphene was investigated by analyzing rotational excitation spectra obtained with a gate-tunable scanning tunneling microscope (STM). Through the shift of the rotational excitation energy, the tunability of physisorbed H2 on ...

AMER CHEMICAL SOC2023

Single-cell biology: what does the future hold?

Bart Deplancke

In this Editorial, our Chief Editor and members of our Advisory Editorial Board discuss recent breakthroughs, current challenges, and emerging opportunities in single-cell biology and share their vision of "where the field is headed." ...

WILEY2023

Positive Streamer Initiation in SF6/CO2 Based on Zener's Field Ionization

Guang-Yu Sun

In this study, experiments were performed to measure the inception and breakdown voltages of SF6/CO2 mixed gases with varying mixing ratios at two different pressures (1 and 2 bar). Using the preliminary data obtained from the experiments, a 3D particle mo ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Universal machine learning for the response of atomistic systems to external fields

Yaolong Zhang

Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in curren ...

Nature Portfolio2023

A review of the modeling approaches of the lightning M-component with special attention to their current and electric field characteristics

Farhad Rachidi-Haeri, Marcos Rubinstein, Carlo Alberto Nucci, Mohammad Azadifar, Qi Li

In this paper, we present the characteristics of current, electric fields and modeling approaches of lightning M-component mode of charge transfer. We consider both the classical M-components (occurring after return strokes) and M-component-type ICC (Initi ...

Elsevier2023

Correlated insulator collapse due to quantum avalanche via in-gap ladder states

Xi Chen, Camille Didier Georges Aron

The significant discrepancy observed between the predicted and experimental switching fields in correlated insulators under a DC electric field far-from-equilibrium necessitates a reevaluation of current microscopic understanding. Here we show that an elec ...

Nature Portfolio2023

Analytic Approximation of In-Body Path Loss for Implanted Antennas

Anja Skrivervik, Mingxiang Gao, Zvonimir Sipus

Implantable bioelectronic devices predominantly use wireless links for communication and/or power transfer. When considering transmitting implanted antennas, electromagnetic radiation through biological media is highly attenuated, and previous work has sho ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Directional sensitivity of cortical neurons towards TMS induced electric fields

Werner Alfons Hilda Van Geit, Aurélien Tristan Jaquier

We derived computationally efficient average response models of different types of cortical neurons, which are subject to external electric fields from Transcranial Magnetic Stimulation. We used 24 reconstructions of pyramidal cells (PC) from layer 2/3, 24 ...

2023

Breakdown development in a nanosecond pulsed dielectric barrier discharge in humid air in plane-to-plane geometry

Ivo Furno, Xin Yang, Lorenzo Ibba

We used the ns electric field induced second harmonic (EFISH) generation diagnostic to measure the electric field evolution in a 200 ns pulse, dielectric barrier, plane-to-plane discharge in humid air, on the time scale shorter than the laser pulse duratio ...

Iop Publishing Ltd2023

Electrically tunable dipolar interactions between layer-hybridized excitons

Andras Kis, Fedele Tagarelli, Edoardo Lopriore

Transition-metal dichalcogenide bilayers exhibit a rich exciton landscape including layer-hybridized excitons, i.e. excitons which are of partly intra- and interlayer nature. In this work, we study hybrid exciton-exciton interactions in naturally stacked W ...

ROYAL SOC CHEMISTRY2023