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Exciton migration in two-dimensional materials

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The motion of atoms is at the heart of any chemical or structural transformation in molecules and materials. Upon activation of this motion by an external source, several (usually many) vibrational modes can be coherently coupled, thus facilitating the che ...

NATURE PORTFOLIO2023

First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouinzone samplings that might not always be sufficient to capture the subtleties of Kohn anomalies. These shortcomings can be addressed through corrections ...

College Pk2023

Ultrafast carrier and quasiparticle dynamics in strongly confined perovskite nanoplatelets

Etienne Christophe Socie

Over the past decade, lead halide perovskites (LHPs) have received considerable attention thanks to their impressive optoelectronic properties. Today, LHP-based devices are one of the most efficient single-junction solar cells, with power-conversion effici ...

EPFL2022

We address the many-body self-interaction in relation to polarons in density functional theory. Our study provides (i) a unified theoretical framework encompassing many-body and one-body forms of self-interaction and (ii) an efficient semilocal scheme for ...

2022

Hubbard U through polaronic defect states

Alfredo Pasquarello, Stefano Falletta

Since the preliminary work of Anisimov and co-workers, the Hubbard corrected DFT+U functional has been used for predicting properties of correlated materials by applying on-site effective Coulomb interactions to specific orbitals. However, the determinatio ...

NATURE PORTFOLIO2022

A polariton is a quasiparticle formed from the coupling of a confined photon in a cavity to electronic excitation, like exciton in a semiconductor. This dissertation reports on series of experiments in confined polariton interaction by design, fabrication, ...

EPFL2021

Spectroscopic view of ultrafast charge carrier dynamics in single- and bilayer transition metal dichalcogenide semiconductors

Jens Christian Johannsen

The quasiparticle spectra of atomically thin semiconducting transition metal dichalcogenides (TMDCs) and their response to an ultrafast optical excitation critically depend on interactions with the underlying substrate. Here, we present a comparative time- ...

ELSEVIER2021

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Klaus Kern, Stephan Rauschenbach, Sabine Abb, Sven Alexander Szilagyi, Hannah Julia Ochner

Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

WILEY-V C H VERLAG GMBH2021

Optoelectronic and magnetic properties induced by atomic defects in two-dimensional semiconductors

Alessio Scavuzzo

Two-dimensional (2D) materials have attracted increasing attention over the last decade owing to their remarkable mechanical, electrical and optical properties. Following the groundbreaking discovery of graphene, a plethora of other atomically-thin materia ...

EPFL2020

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Majed Chergui, Marco Grioni, Arnaud Magrez, Helmuth Berger, Philippe Bugnon, Alberto Crepaldi, Luca Moreschini, Simon Karl Moser, Gianmarco Gatti, Serhii Polishchuk

In nodal-line semimetals, linearly dispersing states form Dirac loops in the reciprocal space with a high degree of electron-hole symmetry and a reduced density of states near the Fermi level. The result is reduced electronic screening and enhanced correla ...

2020