Publication

Band gap opening at the 6H-SiC(0001) surface passivated by an epitaxial silicon oxynitride layer: A first-principles investigation

Publications associées (32)

Investigation of thermoelectric nanomaterials

Thermoelectric conversion remains an active research field in light of its potential to enhance energy efficiency by waste heat recovery in a noise and wear-free manner. Nanostructuring is responsible for most of the recently reported improvements of the ...

EPFL2023

Scalable Approaches to III-V Nanowires for Photodetection

Nicholas Paul Morgan

III-V semiconductor nanowires have unique properties that make them ideal for advanced photodetectors on inexpensive substrates. For example, they exhibit enhanced or polarization-dependent light absorption, they can form complex heterostructures, and thei ...

EPFL2023

Momentum-Space Imaging of Ultra-Thin Electron Liquids in δ-Doped Silicon

Nicolò D'Anna, Gabriel Aeppli

Two-dimensional dopant layers (δ-layers) in semiconductors provide the high-mobility electron liquids (2DELs) needed for nanoscale quantum-electronic devices. Key parameters such as carrier densities, effective masses, and confinement thicknesses for 2DELs ...

WILEY2023

Revealing cation and metal gradients in and underneath passive films of the stainless steel 1.4652 in acidic and alkaline electrolytes with angular resolved dual energy X-ray photo-electron spectroscopy

Patrik Schmutz, Stefano Mischler, Anna Neus Igual Muñoz, Roland Hauert

Passive films on the superaustenitic stainless steel 1.4652 were studied using angular resolved hard X-ray photo-electron spectroscopy (HAXPES), which provides an increased information depth compared to conventional X-ray photo-electron spectroscopy (XPS). ...

Wiley2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

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

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

Surfactant behavior and limited incorporation of indium during in situ doping of GeSn grown by molecular beam epitaxy

Anna Fontcuberta i Morral, Andrea Giunto, Thomas Hagger, Louise Emma Webb

GeSn is a promising group-IV semiconductor material for on-chip Si photonics devices and high-mobility transistors. These devices require the use of doped GeSn regions, achieved preferably in situ during epitaxy. From the electronic valence point of view, ...

AMER PHYSICAL SOC2023

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows

Giovanni Pizzi, Antimo Marrazzo, Miki Bonacci, Junfeng Qiao, Andrea Ferretti

The automation of ab initio simulations is essential in view of performing high-throughput (HT) computational screenings oriented to the discovery of novel materials with desired physical properties. In this work, we propose algorithms and implementations ...

NATURE PORTFOLIO2023

Vapor Deposition of Perovskite Solar Cells

Quentin Jean-Marie Armand Guesnay

Thanks to the continuous improvement of crystalline silicon (c-Si) solar cells, largely dominating the market, photovoltaic electricity is nowadays the cheapest source of energy on the market. Yet, solar energy is far from being completely harvested, as t ...

EPFL2023

Origin of metallic-like behavior in disordered carbon nano-onions

Oleg Yazyev, Kristians Cernevics

Carbon nano-onions are a class of nanomaterials that can exhibit long electron spin relaxation times at room temperature and thus hold promise as potential building blocks for spintronics and quantum information processing devices. Despite first being synt ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Unraveling the Effect of the Chemical and Structural Composition of ZnxNi1-xFe2O4 on the Electron Transfer at the Electrochemical Interface

Sandro Carrara, Mallikarjun Madagalam

In order to deepen the understanding of the role of transition metal oxides in electron transfer at the electrochemical interface, the performance of ZnxNi1-xFe2O4 (x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials in electrochemical sensing is studied. Nanomate ...

WILEY2023