Zobrazeno 1 - 10
of 141
pro vyhledávání: '"Perfetto, Enrico"'
Autor:
Stefanucci, Gianluca, Perfetto, Enrico
The ultrafast conversion of coherent excitons into incoherent excitons, as well as the subsequent exciton diffusion and thermalization, are central topics in current scientific research due to their relevance in optoelectronics, photovoltaics and pho
Externí odkaz:
http://arxiv.org/abs/2407.17077
Autor:
Stefanucci, Gianluca, Perfetto, Enrico
In this paper we conclusively demonstrate that Density Functional Perturbation Theory calculations of phonon linewidths are not affected by overscreening issues. Additionally, we present an exact formula designed to incorporate nonadiabatic and corre
Externí odkaz:
http://arxiv.org/abs/2407.12285
Publikováno v:
npj 2D Mater Appl 8, 40 (2024)
The interaction of excitons with lattice vibrations underlies the scattering from bright to dark excitons as well as the coherent modulation of the exciton energy. Unlike the former mechanism, which involves phonons with finite momentum, the latter c
Externí odkaz:
http://arxiv.org/abs/2406.15221
Autor:
Stefanucci, Gianluca, Perfetto, Enrico
Starting from the {\em ab initio} many-body theory of electrons and phonons, we go through a series of well defined simplifications to derive a set of coupled equations of motion for the electronic occupations and polarizations, nuclear displacements
Externí odkaz:
http://arxiv.org/abs/2311.03980
Autor:
Perfetto, Enrico, Stefanucci, Gianluca
Quantum simulations of photoexcited low-dimensional systems are pivotal for understanding how to functionalize and integrate novel two-dimensional (2D) materials in next-generation optoelectronic devices. First principles predictions are extremely ch
Externí odkaz:
http://arxiv.org/abs/2305.07458
Publikováno v:
Physical Review X 13, 031026 (2023)
We lay down the {\em ab initio} many-body quantum theory of electrons and phonons in- and out-of-equilibrium at any temperature. We begin by addressing a fundamental issue concerning the {\em ab initio} Hamiltonian in the harmonic approximation, whic
Externí odkaz:
http://arxiv.org/abs/2303.02102
We augment the time-linear formulation of the Kadanoff-Baym equations for systems of interacting electrons and quantized phonons or photons with the $G\widetilde{W}$ approximation, the Coulomb interaction $\widetilde{W}$ being dynamically screened by
Externí odkaz:
http://arxiv.org/abs/2203.08083
Autor:
Pavlyukh, Yaroslav, Perfetto, Enrico, Karlsson, Daniel, van Leeuwen, Robert, Stefanucci, Gianluca
Nonequilibrium dynamics of the open chain Holstein-Hubbard model is studied using the linear time-scaling GKBA+ODE scheme developed in the preceeding paper. We focus on the set of parameters relevant for photovoltaic materials, i.\,e., a pair of elec
Externí odkaz:
http://arxiv.org/abs/2111.06699
Autor:
Pavlyukh, Yaroslav, Perfetto, Enrico, Karlsson, Daniel, van Leeuwen, Robert, Stefanucci, Gianluca
Simulations of interacting electrons and bosons out of equilibrium, starting from first principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge. Here, using the formalism of nonequilibrium Green's functions and relyi
Externí odkaz:
http://arxiv.org/abs/2111.06698
Publikováno v:
Journal of Electron Spectroscopy and Related Phenomena, 2022, 257, 147189
Coherence and de-coherence are the most fundamental steps that follow the initial photo-excitation occurring in typical Pump&Probe experiments. Indeed, the initial external laser pulse transfers coherence to the system in terms of creation of multipl
Externí odkaz:
http://arxiv.org/abs/2108.10598