529 citations · 568 across the 3 of their papers we have counts for
6 papers · 1 filter
Lattice vibrations and electronic properties of GaSe nanosheets from first principles
Mousa Bejani, Olivia Pulci, Jamal Barvestani +3
Electronic properties and lattice dynamics of bulk -GaSe and mono-, bi- and tri-tetralayer GaSe are investigated by means of density functional and density functional…
How strong is the Second Harmonic Generation in single-layer monochalcogenides? A response from first-principles real-time simulations
Claudio Attaccalite, Maurizia Palummo, Elena Cannuccia +1
Second Harmonic Generation (SHG) of single-layer monochalcogenides, such as GaSe and InSe, has been recently reported [2D Mater. 5 (2018) 025019; J. Am. Chem. Soc. 2015, 137, 79947…
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…
Theory of phonon-assisted luminescence in solids: application to hexagonal boron nitride
E. Cannuccia, B. Monserrat, C. Attaccalite
In this manuscript we study luminescence of hexagonal boron nitride (hBN) by means of non-equilibrium Green's functions plus time-dependent perturbation theory. We derive a formula…
Excitonic effects in third harmonic generation: the case of carbon nanotubes and nanoribbons
C. Attaccalite, E. Cannuccia, M. Grüning
Linear and nonlinear optical properties of low dimensional nanostructures have attracted a large interest in the scientific community as tools to probe the strong confinement of th…
Ab-initio study of the effects induced by the electron-phonon scattering in carbon based nanostructures
Elena Cannuccia, Andrea Marini
In this paper we investigate from first principles the effect of the electron-phonon interaction in two paradigmatic nanostructures: trans-polyacetylene and polyethylene. We found…