88 citations · 363 across the 22 of their papers we have counts for
13 papers · 1 filter
Tunable second harmonic generation in 2D materials: comparison of different strategies
Simone Grillo, Elena Cannuccia, Maurizia Palummo +2
Nonlinear optical frequency conversion, where optical fields interact with a nonlinear medium to generate new frequencies, is a key phenomenon in modern photonic systems. However,…
Transitions in Xenes between excitonic, topological and trivial insulator phases: influence of screening, band dispersion and external electric field
Olivia Pulci, Paola Gori, Davide Grassano +2
Using a variational approach, the binding energies of the lowest bound excitons in Xenes under varying electric field are investigated. The internal exciton motion is describ…
Interlayer and intralayer excitons in AlN/WS heterostructure
C. Attaccalite, M. S. Prete, M. Palummo +1
Transition metal dichalcogenides (TMD) monolayers, holding potential as good sunlight absorbers, are promising materials for next-generation optoelectronic devices. They may enable…
Interplay of quantum confinement and strain effects in type I to type II transition in Ge/Si core-shell nanocrystals
Ivan Marri, Stefano Ossicini, Michele Amato +2
The electronic properties of hydrogenated, spherical, Si/Ge and Ge/Si core-shell nanocrystals with a diameter ranging from 1.8 to 4.0 nm are studied within Density Functional Theor…
Tuning the doping of epitaxial graphene on a conventional semiconductor via substrate surface reconstruction
Miriam Galbiati, Luca Persichetti, Paola Gori +8
Combining scanning tunneling microscopy and angle-resolved photoemission spectroscopy, we demonstrate how to tune the doping of epitaxial graphene from p to n by exploiting the str…
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…
Influence of anisotropy, tilt and pairing of Weyl nodes: The Weyl semimetals TaAs, TaP, NbAs and NbP
Davide Grassano, Olivia Pulci, Elena Cannuccia +1
By means of band structure methods and model Hamiltonians we investigate the electronic, spin and topological properties of four monopnictides crystallizing in body c…
Giant excitonic absorption and emission in two-dimensional group-III nitrides
Maria Stella Prete, Davide Grassano, Olivia Pulci +3
Absorption and emission of pristine-like semiconducting monolayers of BN, AlN, GaN, and InN are here systematically studied by ab-initio methods. We calculate the absorption spectr…
Ab initio optical and energy loss spectra of transition metal monopnictides TaAs, TaP, NbAs, and NbP
Davide Grassano, Friedhelm Bechstedt, Olivia Pulci
Transition metal monopnictides represent a new class of topological semimetals with low-energy excitations, namely, Weyl fermions. We report optical properties across a wide spectr…
Silicon Nanocrystallites in SiO2 Matrix: The Role of Disorder and Size
Roberto Guerra, Ivan Marri, Rita Magri +4
We compare, through first-principles pseudopotential calculations, the structural, electronic and optical properties of different size silicon nanoclusters embedded in a SiO2 cryst…
Local-fields and disorder effects in free-standing and embedded Si nanocrystallites
Roberto Guerra, Elena Degoli, Margherita Marsili +2
The case study of a 32-atoms Si nanocrystallite (NC) embedded in a SiO2 matrix, both crystalline and amorphous, or free-standing with different conditions of passivation and strain…
First-principles calculations and bias-dependent STM measurements at the alpha-Sn/Ge(111) surface: a clear indication for the 1U2D configuration
P. Gori, F. Ronci, S. Colonna +3
The nature of the alpha-Sn/Ge(111) surface is still a matter of debate. In particular, two possible configurations have been proposed for the 3x3 ground state of this surface: one…
Excitons in Silicon Nanocrystalites: The Nature of Luminescence
Eleonora Luppi, Federico Iori, Rita Magri +4
The absorption and emission spectra of silicon nanocrystals up to 1 nm diameter including geometry optimization and the many-body effects induced by the creation of an electron-hol…