529 citations · 873 across the 21 of their papers we have counts for
21 papers
Ab initio study of saddle-point excitons in monolayer SnS2
Vinicius Alves Bastos, Fulvio Paleari, Eleonora Luppi +2
Monolayer SnS2 has emerged as a promising visible-light photocatalyst for photoelectrochemical applications, owing to its strong optical absorption in the visible range and excelle…
Phonon assisted light absorption and emission in cubic-Boron Nitride
Ashwin Pillai, Elena Cannuccia, Aurelien Manchon +2
Cubic boron nitride (cBN) is a wide-bandgap polymorph of boron nitride whose optical response remains only partially understood due to the coexistence of indirect electronic transi…
Excitonic Landscape of Monolayer Transition-Metal Dichalcogenides: Experimental Discrepancies, Theoretical Advances, and Strain Dependence
Cem Sevik, Purushothaman Manivannan, Fulvio Paleari +1
Excitons in monolayer transition-metal dichalcogenides (TMDs) have garnered significant attention because of their large binding energies due to weakly screened Coulomb interaction…
Symmetries of excitons
Muralidhar Nalabothula, Davide Sangalli, Fulvio Paleari +2
Excitons, bound electron-hole pairs, are responsible for strong optical resonances near the bandgap in low-dimensional materials and wide-bandgap insulators. Although current ab in…
State- and momentum-dependent nonlinear Stark effect of interlayer excitons in bilayer WSe
Cem Sevik, Engin Torun, Milorad V. Milosevic +1
Interlayer excitons in van der Waals heterostructures offer rich collective phases, prospective optoelectronic applications, and versatile tunability, where control by electronic m…
Physics of excitons in layered BiI. Effects of dimensionality and crystal anisotropy
Jorge Cervantes-Villanueva, Fulvio Paleari, Alberto García-Cristóbal +2
We carry out a detailed theoretical study of the electronic and optical properties of bulk and monolayer bismuth triiodide (BiI), a layered metal halide, using the ab initio…
Distinguishing different stackings in layered materials via luminescence spectroscopy
Matteo Zanfrognini, Alexandre Plaud, Ingrid Stenger +10
Despite its simple crystal structure, layered boron nitride features a surprisingly complex variety of phonon-assisted luminescence peaks. We present a combined experimental and th…
Quenching of low-energy optical absorption in bilayer CN polytypes
Matteo Zanfrognini, Miki Bonacci, Fulvio Paleari +5
In this work we provide a first principles description of the electronic and optical properties of bilayers CN, with different stacking motifs AB, AB and AA. Starting fro…
Intrinsic control of interlayer exciton generation rate in van der Waals materials via Janus layers
Engin Torun, Fulvio Paleari, Milorad V. Milosevic +2
We demonstrate the possibility of engineering the optical properties of transition metal dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. Th…
First-principles study of luminescence in hexagonal boron nitride single layer: exciton-phonon coupling and the role of substrate
Pierre Lechifflart, Fulvio Paleari, Davide Sangalli +1
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…
Surface termination dependence of electronic and optical properties in TiCO MXene monolayers
Zafer Kandemir, Engin Torun, Fulvio Paleari +2
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-phonon interaction calls for a revision of the "exciton" concept
Fulvio Paleari, Andrea Marini
The concept of \textit{optical} exciton - a photo-excited bound electron-hole pair within a crystal - is routinely used to interpret and model a wealth of excited-state phenomena i…
Excitons under strain: light absorption and emission in strained hexagonal boron nitride
Pierre Lechifflart, Fulvio Paleari, Claudio Attaccalite
Hexagonal boron nitride is an indirect band gap material with a strong luminescence in the ultraviolet. This luminescence originates from bound excitons recombination assisted by d…
Radiative lifetime of free excitons in hexagonal boron nitride
Sébastien Roux, Christophe Arnold, Fulvio Paleari +12
Using a new time-resolved cathodoluminescence system dedicated to the UV spectral range, we present a first estimate of the radiative lifetime of free excitons in hBN at room tempe…
Electron--phonon interaction without overscreening: a strategy for first--principles modelling
Fulvio Paleari, Andrea Marini
State-of-the-art approaches to calculate the electron-phonon and the phonon-electron self-energy are based on a mean-field approximation for the interacting electronic system. This…
Overscreening-free electron-phonon interaction in realistic materials
Fulvio Paleari, Andrea Marini
State-of-the-art model Hamiltonians, like Fröhlich's, or density functional theory approaches to electron-phonon interaction suffer from a severe overscreening error. This is due t…
Many-body perturbation theory calculations using the yambo code
D. Sangalli, A. Ferretti, H. Miranda +17
yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. As input, yambo requires groun…
Exciton-phonon coupling in the UV absorption and emission spectra of bulk hexagonal boron nitride
Fulvio Paleari, Henrique P. C. Miranda, Alejandro Molina-Sánchez +1
We present an \textit{ab initio} method to calculate phonon-assisted absorption and emission spectra in the presence of strong excitonic effects. We apply the method to bulk hexago…
Direct and indirect excitons in boron nitride polymorphs: a story of atomic configuration and electronic correlation
Lorenzo Sponza, Hakim Amara, Claudio Attaccalite +5
We compute and discuss the electronic band structure and excitonic dispersion of hexagonal boron nitride (hBN) in the single layer configuration and in three bulk polymorphs (usual…
Excitons in few-layer hexagonal boron nitride: Davydov splitting and surface localization
Fulvio Paleari, Thomas Galvani, Hakim Amara +3
Hexagonal boron nitride (hBN) has been attracting great attention because of its strong excitonic effects. Taking into account few-layer systems, we investigate theoretically the e…
Excitons in boron nitride single layer
Thomas Galvani, Fulvio Paleari, Henrique Miranda +5
Boron nitride single layer belongs to the family of 2D materials whose optical properties are currently receiving considerable attention. Strong excitonic effects have already been…