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Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory

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Electronic structure and lattice dynamics of 1T-VSe2:Origin of the three-dimensional charge density wave

Ji Dai, Lorenzo Monacelli

To characterize in detail the charge density wave (CDW) transition of 1T-VSe2, its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and ine ...

Amer Physical Soc2024

A compact approach to higher-resolution resonant inelastic x-ray scattering detection using photoelectrons

Henrik Moodysson Rønnow, Markus Scholz

The detection of inelastically scattered soft x-rays with high energy resolution usually requires large grating spectrometers. Recently, photoelectron spectrometry for analysis of x-rays (PAX) has been rediscovered for modern spectroscopy experiments at sy ...

Iop Publishing Ltd2024

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

NATURE PORTFOLIO2023

A comprehensive analysis of electron emission from a-Si:H/Al2O3 at low energies

Christophe Ballif, Jonathan Emanuel Thomet, Janina Christine Isabelle Löffler, Samira Alexandra Frey, Mohamed Belhaj

Recently developed microchannel plates (MCPs) based on amorphous silicon offer potential advantages with respect to glass based ones. In this context, secondary electron emission (SEE) at very low energies below 100 eV has been studied for relevant materia ...

IOP Publishing Ltd2023

The implementation of ultrasoft pseudopotentials into time-dependent density-functional perturbation theory is detailed for both the Sternheimer approach and the Liouville-Lanczos (LL) method, and equations are presented in the scalar relativistic approxim ...

AMER PHYSICAL SOC2020

Using molecular beam cooled samples and quantum state-selective detection, we observe v = 0 -> 1 vibrational transitions when HCl (v = 0) collides with an Ag(111) surface and derive both the incidence energy and surface temperature dependence of the transi ...

AMER INST PHYSICS2020

Soft-phonon driven hexagonal-orthorhombic phase transition in BaVS3

Helmuth Berger

The lattice dynamics of low-dimensional BaVS3 is reported across the hexagonal-orthorhombic phase transition occurring at T-S = 250 K using a combination of the thermal diffuse scattering of x rays, inelastic x-ray scattering, and density functional theory ...

2019

In the photoemission process electrons are emitted from a solid upon excitation with UV light. From the measurement of their energy and momentum, angle-resolved photoemission spectroscopy (ARPES) allows to reconstruct the electronic properties of the solid ...

EPFL2018

Electromagnon dispersion probed by inelastic X-ray scattering in LiCrO2

Henrik Moodysson Rønnow, Christian Rüegg, Sándor Tóth

Inelastic X-ray scattering with meV energy resolution (IXS) is an ideal tool to measure collective excitations in solids and liquids. In non-resonant scattering condition, the cross-section is strongly dominated by lattice vibrations (phonons). However, it ...

2016

This review article focuses on the most recent advances in X-ray and neutron scattering studies of water structure, from ambient temperature to the deeply supercooled and amorphous states, and of water diffusive and collective dynamics, in disparate thermo ...

American Chemical Society2016