Publications related to Fine structure

Electrical and Optical Manifestations of Flat Band Physics in Van der Waals Materials

The scientific progress is significantly transforming contemporary society with the introduction and widespread application of technologies like artificial intelligence and quantum computing. Despite their profound impact, these technologies necessitate en ...

EPFL2024

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Investigation of Electro-Nuclear Spin States in LiHoF4 Using Cavity-Magnon-Polariton Technique

Yikai Yang

LiReF

_4

("Re" stands for the rare-earth element) and their doped derivatives have long been recognized as a family of compounds that exhibit rich phenomena in quantum magnetism, drawing wide attention to them from both fundamental researchers and industr ...

EPFL2023

Rapid transformation of wildfire emissions to harmful background aerosol

Athanasios Nenes, Spyros Pandis

Wildfires are a significant source of organic aerosol during summer, with major impacts on air quality and climate. However, studies in Europe suggest a surprisingly low (less than 10%) contribution of biomass burning organic aerosol to average summertime ...

Nature Portfolio2023

TDCOSMO VII. Boxyness/discyness in lensing galaxies: Detectability and impact on H-0

Aymeric Alexandre Galan, Georgios Vernardos

In the context of gravitational lensing, the density profile of lensing galaxies is often considered to be perfectly elliptical. Potential angular structures are generally ignored, except to explain flux ratios of point-like sources (i.e. flux ratio anomal ...

EDP SCIENCES S A2022

Precise determination of the low-energy electronuclear Hamiltonian of LiY1-xHoxF4

Sandrine Gerber, Gabriel Aeppli, Michael Müller

The insulating rare-earth magnet LiY1-xHoxF4 has received great attention because a laboratory field applied perpendicular to its crystallographic c axis converts the low-energy electronic spin Hamiltonian into the (dilute) transverse field Ising model. Th ...

2022

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Oleg Yazyev, Manish Jain

Computing the GW quasiparticle band structure and Bethe-Salpeter equation (BSE) absorption spectra for materials with spin-orbit coupling have commonly been done by treating GW corrections and spin-orbit coupling (SOC) as separate perturbations to density- ...

AMER PHYSICAL SOC2022

Robust Interfacial Modifier for Efficient Perovskite Solar Cells: Reconstruction of Energy Alignment at Buried Interface by Self-Diffusion of Dopants

Mohammad Khaja Nazeeruddin, Jianxing Xia

The under-coordinated defects within perovskite and its relevant interfaces always attract and trap the free carriers via the electrostatic force, significantly limiting the charge extraction efficiency and the intrinsic stability of perovskite solar cells ...

WILEY-V C H VERLAG GMBH2022

Beyond potentials: Integrated machine learning models for materials

Michele Ceriotti

Over the past decade, interatomic potentials based on machine learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure calculations, they inherit ...

SPRINGER HEIDELBERG2022

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Frédéric Célerse, Veronika Juraskova

Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

2022

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate Determined by NMR

David Lyndon Emsley, Pinelopi Moutzouri

We review our recent paper which resolves the long-standing dilemma of the location and nature of the six-fold coordinated aluminum in calcium aluminate silicate hydrate (C-A-S-H) samples. First principles calculations predict that at high Ca:Si and H2O ra ...

2021

Atomic data for the

Carmela Lardo

Context. We describe the atomic and molecular data that were used for the abundance analyses of FGK-type stars carried out within the Gaia-ESO Public Spectroscopic Survey in the years 2012 to 2019. The Gaia-ESO Survey is one among several current and futur ...

EDP SCIENCES S A2021

Scattering Map for the Vlasov–Poisson System

Klaus Martin Widmayer

We construct (modified) scattering operators for the Vlasov–Poisson system in three dimensions, mapping small asymptotic dynamics as t→−∞ to asymptotic dynamics as t→+∞. The main novelty is the construction of modified wave operators, but we also obtain a ...

2023

Static and dynamic properties of non-collinear quantum antiferromagnets explored by neutron scattering

Luc Testa

This thesis is devoted to the investigation of static and dynamic properties of two different sets of quantum magnets with neutron scattering techniques and the help of linear spin wave theory. Both systems are copper-based with spin-1/2, which makes them ...

EPFL2021

Extreme polarization-dependent supercontinuum generation in an uncladded silicon nitride waveguide

Camille Sophie Brès, Eirini Tagkoudi, Caroline Gaëlle Amiot

We experimentally demonstrate the generation of a short-wave infrared supercontinuum in an uncladded silicon nitride (Si3N4) waveguide with extreme polarization sensitivity at the pumping wavelength of 2.1 µm. The air-clad waveguide is specifically designe ...

2021

Effect of collisions on non-adiabatic electron dynamics in ITG-driven microturbulence

Stephan Brunner, Justin Richard Ball

Non-adiabatic electron response leads to significant changes in ion temperature gradient (ITG) eigenmodes, leading, in particular, to fine-structures that are significantly extended along the magnetic field lines at corresponding mode rational surfaces (MR ...

2021

Investigation of the fine structure of antihydrogen

Shirit Cohen

At the historic Shelter Island Conference on the Foundations of Quantum Mechanics in 1947, Willis Lamb reported an unexpected feature in the fine structure of atomic hydrogen: a separation of the 2S(1/2) and 2P(1/2) states(1). The observation of this separ ...

2020

Long-range magnetic ordering in Li2MnGeO4 and precursor short-range spin correlations

Irina Safiulina, Artem Korshunov

Long-range magnetic ordering and short-range spin correlations in layered noncentrosymmetric orthogermanate Li2MnGeO4 were studied by means of polarized and unpolarized neutron scattering. The combined Rietveld refinement of synchrotron and neutron powder ...

2020

Learning the electronic density of states in condensed matter

Michele Ceriotti, Andrea Anelli, 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 ...

AMER PHYSICAL SOC2020

Studying the effect of non-adiabatic passing electron dynamics on microturbulence self-interaction in fusion plasmas using gyrokinetic simulations

Ajay Chandrarajan Jayalekshmi

Microturbulence driven by plasma instabilities is in most cases the dominant cause of heat and particle loss from the core of magnetic confinement fusion devices and therefore presents a major challenge in achieving burning plasma conditions. The role of p ...

EPFL2020