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Publications associées (32)

In Liquido Computation with Electrochemical Transistors and Mixed Conductors for Intelligent Bioelectronics

Matteo Cucchi, Eleni Stavrinidou

Next-generation implantable computational devices require long-term-stable electronic components capable of operating in, and interacting with, electrolytic surroundings without being damaged. Organic electrochemical transistors (OECTs) emerged as fitting ...

Wiley-V C H Verlag Gmbh2023

A recipe for cracking the quantum scaling limit with machine learned electron densities

Mario Geiger

A long-standing goal of science is to accurately simulate large molecular systems using quantum mechanics. The poor scaling of current quantum chemistry algorithms on classical computers, however, imposes an effective limit of about a few dozen atoms on tr ...

IOP Publishing Ltd2023

Large evanescently-induced Brillouin scattering at the surrounding of a nanofibre

Luc Thévenaz, Flavien Gyger, Li Zhang

Brillouin scattering has been widely exploited for advanced photonics functionalities such as microwave photonics, signal processing, sensing, lasing, and more recently in micro- and nano-photonic waveguides. Most of the works have focused on the opto-acou ...

Nature Research2022

Phase transition of layer-stacked borophene under pressure

Oleg Yazyev, Quansheng Wu, Xiao Dong

The 8-Pmmn borophene, a boron analog of graphene, hosts tilted and anisotropic massless Dirac fermion quasiparticles owing to the presence of a distorted graphenelike sublattice. First-principles calculations show that stacked 8-Pmmn borophene is transform ...

AMER PHYSICAL SOC2022

Koopmans Spectral Functionals in Periodic Boundary Conditions

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Riccardo De Gennaro

Koopmans spectral functionals aim to describe simultaneously ground-state properties and charged excitations of atoms, molecules, nanostructures, and periodic crystals. This is achieved by augmenting standard density functionals with simple but physically ...

AMER CHEMICAL SOC2022

Intrinsic Polarization Super Junctions: Design of Single and Multichannel GaN Structures

Elison de Nazareth Matioli, Luca Nela, Catherine Erine, Amirmohammad Miran Zadeh

Super junctions (SJs) have enabled unprecedented performance in Silicon power devices, which could be further improved by applying this concept to wide bandgap semiconductors like gallium nitride (GaN). Currently, polarization super junctions (PSJs) are th ...

2022

Three-dimensional Fermi surfaces from charge order in layered CsV3Sb5

Philip Johannes Walter Moll, Matthias Carsten Putzke, Chunyu Guo, Yi-Chiang Sun, Xiangwei Huang

The cascade of electronic phases in CsV3Sb5 raises the prospect to disentangle their mutual interactions in a clean, strongly interacting kagome lattice. When the kagome planes are stacked into a crystal, its electronic dimensionality encodes how much of t ...

AMER PHYSICAL SOC2022

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Alfredo Pasquarello, Aleksei Tal, Haiyuan Wang, Patrick Gono, Thomas Bischoff

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

NATURE PORTFOLIO2022

Oxygen Evolution at the BiVO4-Water Interface: Mechanism of the Water Dehydrogenation Reaction

Alfredo Pasquarello, Julia Anna Wiktor, Sai Lyu

We study the water dehydrogenation reaction at the BiVO4(010)-water interface by combining nudged-elastic-band calculations and electronic structure calculations at the hybrid functional level. We investigate the pathway and the kinetic barrier for the adi ...

AMER CHEMICAL SOC2022

A perspective on multi-channel technology for the next-generation of GaN power devices

Elison de Nazareth Matioli, Luca Nela

The outstanding properties of Gallium Nitride (GaN) have enabled considerable improvements in the performance of power devices compared to traditional silicon technology, resulting in more efficient and highly compact power converters. GaN power technology ...

AIP Publishing2022

Bloch's theorem in orbital-density-dependent functionals: Band structures from Koopmans spectral functionals

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Riccardo De Gennaro

Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized piecewise-linearity condition on the total energy of the system with respect to the ...

AMER PHYSICAL SOC2022

Bragg edge tomography characterization of additively manufactured 316L steel

Roland Logé, Christian Leinenbach, Nikola Kalentics, Markus Strobl, Efthymios Polatidis

In this work we perform a neutron Bragg edge tomography of stainless steel 316L additive manufacturing samples, one as built via standard laser powder bed fusion, and one using the novel three-dimensional (3D) laser shock peening technique. First, we consi ...

AMER PHYSICAL SOC2022

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