Publications associées à Finite-size corrections of defect energy levels involving ionic polarization

Publications associées (41)

Long-lived particle reconstruction downstream of the LHCb magnet

Olivier Schneider, Aurelio Bay, Guido Haefeli, Tatsuya Nakada, Frédéric Blanc, Lesya Shchutska, Elena Graverini, Sebastian Schulte, Donal Patrick Hill, Marie Theres Christin Bachmayer, Serhii Cholak, Ettore Zaffaroni, Aravindhan Venkateswaran, Luis Miguel Garcia Martin, Vitalii Lisovskyi, Elisabeth Maria Niel, Federico Ronchetti, Radoslav Marchevski, Anni Matilda Kauniskangas, Dimitrios Kaminaris, Raphaël van Laak, Pierre Paul Louis Mayencourt, Brianna Leililani Thielen, Arnaud Merlin Gauthey, Gianluca Zunica, Abdul-Kerim Guseinov, Esteban Curras Rivera, Yifei Song, Roberto Ribatti, Alexandre Brea Rodriguez, Rita De Sousa Ataíde Da Silva

Charged-particle trajectories are usually reconstructed with the LHCb detector using combined information from the tracking devices placed upstream and downstream of the 4 T m dipole magnet. Trajectories reconstructed using only information from the tracke ...

2025

The influence of Cr concentration on the phase composition and properties of a unidirectionally crystallized ternary system Cr-Fe-Si before and after annealing

Philippe Buffat

This paper describes the phase composition, morphological, chemical, and crystallographic prop- erties of silicide phases in Cr–Fe–Si alloy ingots obtained through directional solidification, both before and after annealing. The samples had a general formu ...

Pleiades Publishing Ltd2025

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

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

Hydrogen-induced tunable remanent polarization in a perovskite nickelate

Michele Kotiuga

Materials with field-tunable polarization are of broad interest to condensed matter sciences and solid-state device technologies. Here, using hydrogen (H) donor doping, we modify the room temperature metallic phase of a perovskite nickelate NdNiO3 into an ...

Nature Portfolio2024

Instabilities in Elastic and Magneto-Elastic Beams and Shells: from Shell Buckling to the Design of a Programmable Braille Reader

Arefeh Abbasi

In this thesis, we conduct a comprehensive investigation into structural instabilities of both elastic and magneto-elastic beams and shells, resulting in a creative proposal to design a programmable braille reader. Methodologically, we combine numerical si ...

EPFL2024

Manufacture and performance test result of a 95 kA-class Nb-Ti cable-in-conduit conductor for the low field winding-package of CFETR-TF coil

Pierluigi Bruzzone, Kamil Sedlák, Yu Wu

The engineering design of the CFETR TF prototype coil and conductors has been completed. The wind-package (WP) of the coil is graded into three regions based on the magnetic field distribution for saving cost. High-Jc Nb3Sn strand, ITER-like Nb3Sn strand a ...

Elsevier2023

Magnetic structure of the magnetoelectric material Ba2MnGe2O7

Bálint Náfrádi

A detailed investigation of Ba2MnGe2O7 was performed in its low-temperature magnetoelectric state combining neutron diffraction with magnetization measurements on single crystals. In the paramagnetic state at 10 K, polarized neutron diffraction was applied ...

2023

Dataset for "First self-consistent simulations of trapped electron clouds in a gyrotron gun and comparison with experiments" - Physics of Plasmas 30, 030702 (2023)

Pierrick Paul Louis Giroud-Garampon

Dataset for the publication "First self-consistent simulations of trapped electron clouds in a gyrotron gun and comparison with experiments" - Physics of Plasmas 30, 030702 (2023) - https://doi.org/10.1063/5.0136340 Authors: G. Le Bars*,J. Loizu*, J.-Ph. ...

Zenodo2023

Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor

Ganna Gryn'ova, Juliette Veronique Schleicher

Heteroatom-doped polyaromatic hydrocarbons (or nanographenes) are promising molecular electrocatalysts for the oxygen reduction reaction (ORR). Here, we use density functional theory to investigate the first step of the ORR pathway (chemisorption) for a se ...

AMER CHEMICAL SOC2023

On the Validity of Consensus

Rachid Guerraoui, Seth Gilbert, Jovan Komatovic, Manuel José Ribeiro Vidigueira, Pierre Philippe Civit

The Byzantine consensus problem involves.. processes, out of which t < n could be faulty and behave arbitrarily. Three properties characterize consensus: (1) termination, requiring correct (nonfaulty) processes to eventually reach a decision, (2) agreement ...

Assoc Computing Machinery2023

From defect to effect: controlling electronic transport in chevron graphene nanoribbons

Oleg Yazyev, Kristians Cernevics

While bottom-up synthesis allows for precise control over the properties of graphene nanoribbons (GNRs), the use of certain precursor molecules can result in edge defects, such as missing benzene rings that resemble a 'bite'. We investigate the adverse eff ...

IOP Publishing Ltd2023

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

Self-Interaction and Polarons in Density Functional Theory

Stefano Falletta

The electron self-interaction is a long-standing problem in density functional theory and is particularly critical in the description of polarons. Polarons are quasiparticles involving charge localization coupled with self-induced lattice distortions. Sinc ...

EPFL2023

Thermal Conditions in Indoor Environments: Exploring the Reasoning behind Standard-Based Recommendations

Dolaana Khovalyg, Sarah Wael Ahmed Crosby

Professionals in the building design and operation fields typically look at standards and guidelines as a reliable source of information and guidance with regard to procedural, contractual, and legal scope and requirements that are relevant to accountabili ...

2023

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Ngoc Linh Nguyen, Giovanni Borghi, Riccardo De Gennaro

Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

Amer Chemical Soc2023

Foldable Hole-Transporting Materials for Merging Electronic States between Defective and Perfect Perovskite Sites

Mohammad Khaja Nazeeruddin, Paul Joseph Dyson, Yi Zhang, Hiroyuki Kanda, Kasparas Rakstys, Jianxing Xia, Keith Gregory Brooks, Xiaoxin Gao

Defective and perfect sites naturally exist within electronic semiconductors, and considerable efforts to reduce defects to improve the performance of electronic devices, especially in hybrid organic-inorganic perovskites (ABX(3)), are undertaken. Herein, ...

Wiley-V C H Verlag Gmbh2023

Berry curvature dipole generation and helicity-to-spin conversion at symmetry-mismatched heterointerfaces

Peng Chen, Xupeng Yang

The Berry curvature dipole (BCD) is a key parameter that describes the geometric nature of energy bands in solids. It defines the dipole-like distribution of Berry curvature in the band structure and plays a key role in emergent nonlinear phenomena. The th ...

Nature Portfolio2023

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Philip Robin Loche

Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor-liquid water and hexa ...

AIP Publishing2022

Negative Capacitance in HfO2 Gate Stack Structures With and Without Metal Interlayer

Mihai Adrian Ionescu, Igor Stolichnov, Ali Saeidi, Francesco Bellando, Matteo Cavalieri, Carlotta Gastaldi, Eamon Patrick O'Connor

In this work, we experimentally explore and compare FET gate stacks with and without an inner metal plane between a linear dielectric (SiO2) and a ferroelectric layer (Si-doped HfO2) operating in the negative capacitance (NC) regime. The use of nanosecond- ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Nonlinear electro-mechanical coupling and thermally stimulated currents in relaxor ferroelectrics

Lukas Riemer

In this work, the emergence of polarization and electro-mechanical coupling in Pb(Mg1/3Nb2/3)O3 and Pb(Mg1/3Nb2/3)O3 â PbTiO3 was investigated by means of thermally stimulated current, and nonlinear dielectric and electro-mechanical measurements. The pre ...

EPFL2022