An experimentalist's guide to the matrix element in angle resolved photoemission

S Moser - Journal of Electron Spectroscopy and Related …, 2017 - Elsevier
Angle resolved photoemission spectroscopy (ARPES) is commonly known as a powerful
probe of the one-electron removal spectral function in ordered solid state. With increasing …

Organic semiconductor density of states controls the energy level alignment at electrode interfaces

M Oehzelt, N Koch, G Heimel - Nature communications, 2014 - nature.com
Minimizing charge carrier injection barriers and extraction losses at interfaces between
organic semiconductors and metallic electrodes is critical for optimizing the performance of …

Quasiparticle Spectra from a Nonempirical Optimally Tuned<? format?> Range-Separated Hybrid Density Functional

S Refaely-Abramson, S Sharifzadeh, N Govind… - Physical review …, 2012 - APS
We present a method for obtaining outer-valence quasiparticle excitation energies from a
density-functional-theory-based calculation, with an accuracy that is comparable to that of …

Physically inspired deep learning of molecular excitations and photoemission spectra

J Westermayr, RJ Maurer - Chemical Science, 2021 - pubs.rsc.org
Modern functional materials consist of large molecular building blocks with significant
chemical complexity which limits spectroscopic property prediction with accurate first …

Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally tuned range-separated hybrid functional

DA Egger, S Weissman… - Journal of Chemical …, 2014 - ACS Publications
Density functional theory with optimally tuned range-separated hybrid (OT-RSH) functionals
has been recently suggested [Refaely-Abramson et al. Phys. Rev. Lett. 2012, 109, 226405] …

Orbital-resolved observation of singlet fission

A Neef, S Beaulieu, S Hammer, S Dong, J Maklar… - Nature, 2023 - nature.com
Abstract Singlet fission,,,,,,,,,,,–may boost photovoltaic efficiency,–by transforming a singlet
exciton into two triplet excitons and thereby doubling the number of excited charge carriers …

Strategy for finding a reliable starting point for demonstrated for molecules

T Körzdörfer, N Marom - Physical Review B—Condensed Matter and Materials …, 2012 - APS
Many-body perturbation theory in the G 0 W 0 approximation is an increasingly popular tool
for calculating electron removal energies and fundamental gaps for molecules and solids …

The interplay between interface structure, energy level alignment and chemical bonding strength at organic–metal interfaces

M Willenbockel, D Lüftner, B Stadtmüller… - Physical Chemistry …, 2015 - pubs.rsc.org
What do energy level alignments at metal–organic interfaces reveal about the metal–
molecule bonding strength? Is it permissible to take vertical adsorption heights as indicators …

Exploring three-dimensional orbital imaging with energy-dependent photoemission tomography

S Weiß, D Lüftner, T Ules, EM Reinisch, H Kaser… - Nature …, 2015 - nature.com
Recently, it has been shown that experimental data from angle-resolved photoemission
spectroscopy on oriented molecular films can be utilized to retrieve real-space images of …

[HTML][HTML] Surface science at the PEARL beamline of the Swiss Light Source

M Muntwiler, J Zhang, R Stania, F Matsui… - Synchrotron …, 2017 - journals.iucr.org
The Photo-Emission and Atomic Resolution Laboratory (PEARL) is a new soft X-ray
beamline and surface science laboratory at the Swiss Light Source. PEARL is dedicated to …