529 citations · 2.5k across the 38 of their papers we have counts for
38 papers
Strong Coupling of Coherent Phonons to Excitons in Semiconducting Monolayer MoTe
Charles J. Sayers, Armando Genco, Chiara Trovatello +8
The coupling of the electron system to lattice vibrations and their time-dependent control and detection provides unique insight into the non-equilibrium physics of semiconductors.…
Assignment of excitonic insulators in \textit{ab initio} theories: the case of NiBr
Stefano Di Sabatino, Alejandro Molina-Sánchez, Pina Romaniello +1
In this work we perform a detailed first-principles analysis of the electronic and optical properties of NiBr within the state-of-the-art +BSE scheme to determine whether t…
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…
Exciton-Exciton transitions involving strongly bound excitons: an ab initio approach
D. Sangalli, M. D'Alessandro, C. Attaccalite
In pump-probe spectroscopy, two laser pulses are employed to garner dynamical information from the sample of interest. The pump initiates the optical process by exciting a portion…
First-Principles Ultrafast Exciton Dynamics and Time-Domain Spectroscopies: Dark-Exciton Mediated Valley Depolarization in Monolayer WSe
Hsiao-Yi Chen, Marco Bernardi
Calculations combining first-principles electron-phonon (-ph) interactions with the Boltzmann equation enable studies of ultrafast carrier and phonon dynamics. However, in mater…
Ab initio Circular Dichroism with the Yambo code: applications to dipeptides
Elena Molteni, Giancarlo Cappellini, Davide Sangalli
Circular dichroism (CD) spectroscopy is a useful technique for characterizing chiral molecules. It is more sensitive than total absorption to molecule conformation, and it is routi…
A systematic study of the valence electronic structure of cyclo(Gly-Phe), cyclo(Trp-Tyr) and cyclo(Trp-Trp) dipeptides in gas phase
Elena Molteni, Giuseppe Mattioli, Paola Alippi +12
The electronic energy levels of cyclo(Glycine-Phenylalanine), cyclo(Tryptophan-Tyrosine) and cyclo(Tryptophan-Tryptophan) dipeptides are investigated with a joint experimental and…
Double -Grid Method for Solving the Bethe-Salpeter Equation via Lanczos Approaches
Ignacio M. Alliati, Davide Sangalli, Myrta Grüning
Convergence with respect to the size of the k-points sampling-grid of the Brillouin zone is the main bottleneck in the calculation of optical spectra of periodic crystals via the B…
Spinorial formulation of the GW-BSE equations and spin properties of excitons in 2D Transition Metal Dichalcogenides
Margherita Marsili, Alejandro Molina-Sánchez, Maurizia Palummo +2
In many paradigmatic materials, like Transition Metal Dichalcogenides, the role played by the spin degrees of freedom is as important as the one played by the electron-electron int…
Subpicosecond metamagnetic phase transition driven by non-equilibrium electron dynamics
Federico Pressacco, Davide Sangalli, Vojtěch Uhlíř +13
Femtosecond light-induced phase transitions between different macroscopic orders provide the possibility to tune the functional properties of condensed matter on ultrafast timescal…
Real-time modelling of Optical orientation in GaAs: generation and decay of the degree of spin polarization
Marco D'Alessandro, Davide Sangalli
We present a real-time abinitio description of optical orientation in bulk GaAs due to the coupling with an ultrashort circular polarized laser source. The injection of spin polari…
Observation of an excitonic Mott transition through ultrafast core--conduction photoemission spectroscopy
Maciej Dendzik, R. Patrick Xian, Enrico Perfetto +19
Time-resolved soft-X-ray photoemission spectroscopy is used to simultaneously measure the ultrafast dynamics of core-level spectral functions and excited states upon excitation of…
Strongly coupled coherent phonons in single-layer MoS
C. Trovatello, H. P. C. Miranda, A. Molina-Sánchez +15
We present a transient absorption setup combining broadband detection over the visible-UV range with high temporal resolution (20fs) which is ideally suited to trigger and de…
Magneto-optical response of chromium trihalide monolayers: chemical trends
A. Molina-Sánchez, G. Catarina, D. Sangalli +1
Chromium trihalides (CrI, CrBr and CrCl) form a prominent family of isostructural insulating layered materials in which ferromagnetic order has been observed down to th…
Pump driven normal-to-excitonic insulator transition: Josephson oscillations and signatures of BEC-BCS crossover in time-resolved ARPES
E. Perfetto, D. Sangalli, A. Marini +1
We consider a ground-state wide-gap band insulator turning into a nonequilibrium excitonic insulator (NEQ-EI) upon visiting properly selected and physically relevant highly excited…
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…
Direct observation of intravalley spin relaxation in single-layer WS
Z. Wang, A. Molina-Sanchez, P. Altmann +12
In monolayer Transition Metal Dichalcogenides (TMDs) the valence and conduction bands are spin split because of the strong spin-orbit interaction. In tungsten-based TMDs the spin-o…
Ultrafast Charge Migration in XUV Photoexcited Phenylalanine: a First-Principles Study Based on Real-Time Nonequilibrium Green's Functions
E. Perfetto, D. Sangalli, A. Marini +1
The early stage density oscillations of the electronic charge in molecules irradiated by an attosecond XUV pulse takes place on femto- or subfemtosecond timescales. This ultrafast…
An ab-initio approach to describe coherent and non-coherent exciton dynamics
Davide Sangalli, Enrico Perfetto, Gianluca Stefanucci +1
The use of ultra-short laser pulses to pump and probe materials activates a wealth of processes which involve the coherent and non coherent dynamics of interacting electrons out of…
Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides
Hsiao-Yi Chen, Maurizia Palummo, Davide Sangalli +1
Monolayer transition metal dichalcogenides (TMDCs) are direct gap semiconductors with unique potential for ultrathin light emitters. Yet, their photoluminescence (PL) is not comple…
Ab initio calculations of ultra-short carrier dynamics in 2D materials: valley depolarization in single-layer WSe
Alejandro Molina-Sánchez, Davide Sangalli, Ludger Wirtz +1
In single-layer WSe, a paradigmatic semiconducting transition metal dichalcogenide, a circularly polarized laser field can selectively excite electronic transitions in one of t…
Photo-Induced Bandgap Renormalization Governs the Ultrafast Response of Single-Layer MoS2
Eva A. A. Pogna, Margherita Marsili, Domenico De Fazio +9
Transition metal dichalcogenides (TMDs) are emerging as promising two-dimensional (2d) semiconductors for optoelectronic and flexible devices. However, a microscopic explanation of…
Carbon nanotubes as excitonic insulators
Daniele Varsano, Sandro Sorella, Davide Sangalli +4
Fifty years ago Walter Kohn speculated that a zero-gap semiconductor might be unstable against the spontaneous generation of excitons---electron-hole pairs bound together by Coulom…
Non equilibrium optical properties in semiconductors from first--principles: a combined theoretical and experimental study of bulk silicon
Davide Sangalli, Stefano Dal Conte, Cristian Manzoni +2
The calculation of the equilibrium optical properties of bulk silicon by using the Bethe--Salpeter equation solved in the Kohn--Sham basis represents a cornerstone in the developme…