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20162026
most citedMany-body perturbation theory calculations using the yambo code

529 citations · 594 across the 15 of their papers we have counts for

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cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2022

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…

cond-mat.mtrl-sci2022★ 13 cited

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…