Theory of coherent phonons coupled to excitons

E Perfetto, K Wu, G Stefanucci - npj 2D Materials and Applications, 2024 - nature.com
The interaction of excitons with lattice vibrations underlies the scattering from bright to dark
excitons as well as the coherent modulation of the exciton energy. Unlike the former …

Phonon screening and dissociation of excitons at finite temperatures from first principles

AM Alvertis, JB Haber, Z Li, CJN Coveney… - Proceedings of the …, 2024 - pnas.org
The properties of excitons, or correlated electron–hole pairs, are of paramount importance to
optoelectronic applications of materials. A central component of exciton physics is the …

Ab Initio Predictions of Spin Relaxation, Dephasing, and Diffusion in Solids

J Xu, Y Ping - Journal of Chemical Theory and Computation, 2023 - ACS Publications
Spin relaxation, dephasing, and diffusion are at the heart of spin-based information
technology. Accurate theoretical approaches to simulate spin lifetimes (τs), determining how …

First-principles study of luminescence in hexagonal boron nitride single layer: Exciton-phonon coupling and the role of substrate

P Lechifflart, F Paleari, D Sangalli, C Attaccalite - Physical Review Materials, 2023 - APS
Hexagonal boron nitride (hBN) is a wide band gap material with both strong excitonic light
emission in the ultraviolet and strong exciton-phonon coupling. Luminescence experiments …

Dynamical effects on photoluminescence spectra from first principles: A many-body Green's function approach

P Cudazzo - Physical Review B, 2023 - APS
Coupling of excitations, arising from electronic correlation or electron-phonon interaction,
leads to intriguing effects on the spectra of materials. Current approximations to calculate …

Semiconductor electron-phonon equations: A rung above Boltzmann in the many-body ladder

G Stefanucci, E Perfetto - SciPost Physics, 2024 - scipost.org
Starting from the ab initio many-body theory of electrons and phonons, we go through a
series of well defined simplifications to derive a set of coupled equations of motion for the …

Rearrangement collision theory of phonon-driven exciton dissociation

CJN Coveney, JB Haber, AM Alvertis, JB Neaton… - Physical Review B, 2024 - APS
Understanding the processes governing the dissociation of excitons to free charge carriers
in semiconductors and insulators is of central importance for photovoltaic applications …

Excitonic Bloch equations from first principles

G Stefanucci, E Perfetto - SciPost Physics, 2025 - scipost.org
The ultrafast conversion of coherent excitons into incoherent excitons, as well as the
subsequent exciton diffusion and thermalization, are central topics in current scientific …

Ultrafast exciton decomposition in transition metal dichalcogenide heterostructures

T Amit, S Refaely-Abramson - Physical Review B, 2023 - APS
Heterostructures of layered transition metal dichalcogenides (TMDs) host long-lived, tunable
excitons, making them intriguing candidates for material-based quantum information …

Intrinsic control of interlayer exciton generation in van der Waals materials via Janus layers

E Torun, F Paleari, MV Milosevic, L Wirtz, C Sevik - Nano Letters, 2023 - ACS Publications
We demonstrate the possibility of engineering the optical properties of transition metal
dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. We …