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Band-edge levels in semiconductors and insulators: Hybrid density functional theory versus many-body perturbation theory

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Publications associées (33)

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A Dual-Channel Gate Driver Design with Active Voltage Balancing Circuit for Series Connection of SiC MOSFETs

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Dual-channel gate driver is commonly utilized in the industry for accommodating the widespread use of half-bridge power modules. As wide-bandgap devices become increasingly prevalent due to their superior switching characteristics compared with conventiona ...

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Decoupling Interlayer Spacing and Cation Dipole on Exciton Binding Energy in Layered Halide Perovskites

Rosario Scopelliti, Nicolas Grandjean, Kevin Sivula, Jun Ho Yum, Yeonju Kim, Simon Nussbaum, Han-Hee Cho, Danxuan Chen

Layered halide perovskites (LHPs) are emerging semiconductor materials due to their superior environmental stability compared to that of traditional halide perovskites. While LHPs have tunable optoelectronic properties, quantum and dielectric confinement e ...

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

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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

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

Murunskite - a new class of functional material

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The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

EPFL2023

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

Giovanni Pizzi, Antimo Marrazzo, Junfeng Qiao

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

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

Synthesis and Characterization of Functionalized Spacer Cations for the Incorporation in Layered Perovskites

Simon Nussbaum

Layered hybrid organic-inorganic perovskite (LHOIP) materials are an emerging class of semiconductors endorsed as a more stable alternative compared to the more widely investigated 3D hybrid organic-inorganic halide perovskites (HOIP). Consisting of altern ...

EPFL2023

Giant two-photon absorption of anatase TiO2 in Au/TiO2 core-shell nanoparticles

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We report on deep-to-near-UV transient absorption spectra of core-shell Au/SiO2 and Au/TiO2 nanoparticles (NPs) excited at the surface plasmon resonance of the Au core, and of UV-excited bare anatase TiO2 NPs. The bleaching of the first excitonic transitio ...

CHINESE LASER PRESS2023

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

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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 ...

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Range-separated hybrid functionals for accurate prediction of band gaps of extended systems

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In this work, we systematically evaluate the accuracy in band gap prediction of range-separated hybrid functionals on a large set of semiconducting and insulating materials and carry out comparisons with the performance of their global counterparts. We obs ...

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EuCd2As2 is now widely accepted as a topological semimetal in which a Weyl phase is induced by an external magnetic field. We challenge this view through firm experimental evidence using a combination of electronic transport, optical spectroscopy, and exci ...

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There is a never-ending push for electronic systems to provide faster operation speeds, higher energy efficiencies, and higher power capabilities at smaller scales. These requirements are apparent in different areas of electronics, from radiofrequency (RF) ...

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