6 papers · 1 filter
Application of the exact-factorization density-functional perturbation approach to pentacene crystal and monolayer MoS2
Rachel Steinitz-Eliyahu, Galit Cohen, Guy Vosco +3
Non-adiabatic effects arising from electron-phonon interactions are often neglected within the Born-Oppenheimer (BO) approximation, which assumes that electronic states adjust inst…
Photoemission tomography of excitons in 2D systems: momentum-space signatures of correlated electron-hole wave functions
Siegfried Kaidisch, Amir Kleiner, Sivan Refaely-Abramson +2
The momentum-space signatures of excitons can be experimentally accessed through time-resolved (pump-probe) photoelectron spectroscopy. In this work, we develop a computational fra…
Strain-induced exciton mobility in layered WS2 from first principles
Amir Kleiner, Sivan Refaely-Abramson
Exciton mobility in two-dimensional semiconductors is a key ingredient in materials-based design of optoelectronic functionalities. Monolayer transition metal dichalcogenides (TMDs…
Exciton-Exciton Annihilation Mediated by Many-Body Coulomb and Phonon Interactions: An Ab Initio Study
Guy Vosco, Sivan Refaely-Abramson
Exciton-exciton annihilation (EEA), in which two excitons interact to generate high-energy excitations, is an important non-radiative channel in light-induced excited-state relaxat…
Ab-initio density-matrix approach to exciton coherence: phonon scattering, Coulomb interactions and radiative recombination
Tomer Amit, Guy Vosco, Mauro Del Ben +1
Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin…
Non-adiabaticity from first principles: the exact-factorization approach for solids
Galit Cohen, Rachel Steinitz-Eliyahu, E. K. U. Gross +2
The thorough treatment of electron-lattice interactions from first principles is one of the main goals in condensed matter physics. While the commonly applied adiabatic Born-Oppenh…