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 …

Exciton-phonon interaction calls for a revision of the “exciton” concept

F Paleari, A Marini - Physical Review B, 2022 - APS
The concept of optical exciton—a photoexcited bound electron-hole pair within a crystal—is
routinely used to interpret and model a wealth of excited-state phenomena in …

Structural classification of boron nitride twisted bilayers and ab initio investigation of their stacking-dependent electronic structure

S Latil, H Amara, L Sponza - SciPost Physics, 2023 - scipost.org
Since the discovery of superconductive twisted bilayer graphene which initiated the field of
twistronics, moiré systems have not ceased to exhibit fascinating properties. We …

Surface termination dependence of electronic and optical properties in MXene monolayers

Z Kandemir, E Torun, F Paleari, C Yelgel, C Sevik - Physical Review Materials, 2022 - APS
Two-dimensional (2D) MXenes are a rapid growing family of 2D materials with rich physical
and chemical properties where their surface termination plays an essential role. Among the …

Exciton-polariton properties of hexagonal BN-based microcavity and their potential applications in BEC and superconductivity

H Yang, X Wang, XZ Li - Physical Review B, 2021 - APS
Microcavity exciton-polaritons are two-dimensional bosonic quasiparticles composed by
excitons and photons. Using a model Hamiltonian with parameters generated from ab initio …

Radiative lifetime of free excitons in hexagonal boron nitride

S Roux, C Arnold, F Paleari, L Sponza, E Janzen… - Physical Review B, 2021 - APS
Using a time-resolved cathodoluminescence system dedicated to the UV spectral range, we
present an estimate of the radiative lifetime of free excitons in hexagonal boron nitride (hBN) …

Exciton self-trapping in twisted hexagonal boron nitride homostructures

S Roux, C Arnold, E Carré, A Plaud, L Ren… - arXiv preprint arXiv …, 2024 - arxiv.org
One of the main interests of 2D materials is their ability to be assembled with many degrees
of freedom for tuning and manipulating excitonic properties. There is a need to understand …

Phonon-Assisted Photoluminescence and Exciton Recombination in Monolayer Aluminum Nitride

P Yadav, A Agarwal, S Bhattacharya - arXiv preprint arXiv:2409.00850, 2024 - arxiv.org
Efficient solid-state photon emitters with longer operating lifetimes in the ultraviolet (UV)
wavelength range are crucial for optoelectronic devices. However, finding suitable material …

Gap engineering and wave function symmetry in C and BN armchair nanoribbons

E Serrano Richaud, S Latil, H Amara, L Sponza - Physical Review B, 2024 - APS
There are many ways of engineering the band gap of nanoribbons, including application of
stress, electric field, and functionalization of the edges. In this paper, we investigate …

Impact of edge morphology and chemistry on nanoribbons' gapwidth

ES Richaud, S Latil, L Sponza - arXiv preprint arXiv:2302.14432, 2023 - arxiv.org
In this work, we scrutinise theoretically how the gap of C and BN armchair nanoribbons
changes upon variations of the bond length between edge atoms and their distance from …