Since 2016 Davide Sangalli is researcher at the Istituto di Struttura della materia (ISM -CNR), Division of Ultrafast Processes in Materials (FLASHit), Area della Ricerca di Roma 1, Monterotondo Scalo, Italy. He is presently working within the MaX (Materials design at the eXascale H2020-EINFRA-2015-1, Grant Agreement No. 676598) and NFFA (Nanoscience Foundries and Fine Analysis – Europe H2020-INFRAIA-2014-2015, Grant Agreement No. 654360) projects. He is also one of the main developers of the yambo code also taking care of the administration of the yambo github repository.
Main research interests:
Many-Body physics from first principles: correlation effects in semiconductors and nanostructures.
Nonequilibrum physics and ultrafast phenomena: carrier dynamics, exciton dynamics, coherent dynamics, quantum kinetics, magnetization dynamics, transient spectroscopy.
Emergent physics in condensed matter. Berry-Phase, Kerr effect and Anomalous Hall effects in 3D materials; Kerr effect and valley physics in 2D materials; Gauge invariance out of equilibrium, Aharonov Bohm effect and excitonic insulator phase in 1D carbon nanotubes.
Development and exploitation of advanced first principles computational methods beyond density functional theory, mostly many-body perturbation theory, to study electronic and optical spectroscopies. Scientific software development and high-performance computing.
Second post-doc fellow (2013-2016): pump and probe experiments from first principles
Davide Sangalli moved at the ISM in Montelibretti within the FIRB projec FLASH-IT, whose aim is the first principles description of out-of-equilibrium dynamics of electrons in the ultra-short (atto/femto-second) time domain. The work is done in close collaboration with the experimental group of the Politecnico di Milano.
Here on the top left a representation of the electrons and holes occupations on the band structure of bulk silicon at different time snapshots after the action of an ultra-short laser pulse. Data from EPL 110, 47004 (2015). On the top right a representation of the electron-phonon lifetimes (values in meV) responsible for the dynamics shown on the left. Finally a link to a short video of the carriers dynamics in silicon due to electron-phonon and electron-electron lifetimes ELEL+ELPH_2ps
On the left the transient reflectivity signal of bulk silicon, computed at the Bethe-Salpeter, level due o the non-equilibrium carriers distribution at 200 fs from the maximum of the laser pulse. Data from Phys. Rev. B 93, 195205 (2016). The results of the simulations are directly compared with the signal collected in Milano.
First post-doc fellow (2011 – 2013): ab initio study of Fe doped ZrO2 and development of the magneto optical Kerr effect
After the PhD he worked at the Laboratorio MDM (IMM – CNR) within the OSEA project (Cariplo fundings) carrying on first principles simulations of dilute magnetic semiconductor, iron doped zirconia in particular. He also had an active role in the experimental characterization, with XPS measurements of iron doped films, directly comparing the results with the first principles simulated electronic structures. In the same time he kept his interest in the description of absorption spectra, studying fundamental aspects of the magneto-optical Kerr effect (MOKE). The MOKE has been implemented in the yambo code with the possibility to include local fields and excitonic effects, thus extending the BSE implementation to the spinorial formalism. The same implementation has been provided a key tool for the description of the optical properties of the MoS2 system.
Master thesis and PhD (2007 – 2011)
Since his master thesis (2007) Davide Sangalli worked on the development of first principles codes, extending the TDDFT implementation in the Abinit code to the description of spin-polarized systmes. He the started his PhD in Rome, CNISM grant (2007-2010), working on the effects of many body correlation in the absorption spectra (visible/UV range) of correlated materials. During the PhD he also described, from first-principles, the Aharonov-Bohm effect in carbon nanotubes, having implemented the effect of a magnetic field in the self-consistent module of the yambo code and, finally, he worked, in close collaboration with an experimental group of the Università degli studi di Milano, to the description of linear chains of carbon embedded in a pure-carbon systems.