30 citations · 171 across the 24 of their papers we have counts for
9 papers · 1 filter
Frequency-dependent electron-phonon coupling and vibrational responses in tight-binding and continuous Dirac models with nuclear velocity correction
Paolo Fachin, Francesco Macheda, Paolo Barone +1
The nuclear motion induces in the electronic atomic orbitals a nuclear-velocity-dependent phase (also known as electron-translation factor), which modifies the effective Hamiltonia…
Non-adiabatic Ehrenfest dynamics with norm-conserving and ultra-soft pseudo-potentials with nuclear velocity corrections on the atomic orbitals within the Projector Augmented Wave Method framework
Paolo Fachin, Francesco Macheda, Paolo Barone +1
We derive the first-principles Ehrenfest molecular dynamics describing non-adiabatic processes with the inclusion of the nuclear-velocity-dependent phases (also known as electron-t…
Coupled dynamical Boltzmann transport equations with long-range electron-phonon and electron-electron interactions in 2D materials
Francesco Macheda, Thibault Sohier
We study the interplay between long-range electron-phonon and electron-electron interactions in electrostatically doped two-dimensional semiconductors, including interlayer couplin…
Electronic transport in BN-encasulated graphene limited by remote phonon scattering
Khalid Dinar, Francesco Macheda, Alberto Guandalini +6
We study the impact of BN's phonons on the electrical resistivity of hBN-encapsulated graphene. While encapsulation yields high-mobility devices, the surrounding BN itself introduc…
Infrared markers of topological phase transitions in quantum spin Hall insulators
Paolo Fachin, Francesco Macheda, Paolo Barone +1
Using first principles techniques, we show that infrared optical response can be used to discriminate between the topological and the trivial phases of two-dimensional quantum spin…
Theory of infrared double-resonance Raman spectrum in graphene: the role of the zone-boundary electron-phonon enhancement
Lorenzo Graziotto, Francesco Macheda, Thibault Sohier +2
We theoretically investigate the double-resonance Raman spectrum of monolayer graphene down to infrared laser excitation energies. By using first-principles density functional theo…
Infrared resonance Raman of bilayer graphene: signatures of massive fermions and band structure on the 2D peak
Lorenzo Graziotto, Francesco Macheda, Tommaso Venanzi +14
Few-layer graphene possesses low-energy carriers which behave as massive fermions, exhibiting intriguing properties in both transport and light scattering experiments. Lowering the…
Probing enhanced electron-phonon coupling in graphene by infrared resonance Raman spectroscopy
Tommaso Venanzi, Lorenzo Graziotto, Francesco Macheda +16
We report on resonance Raman spectroscopy measurements with excitation photon energy down to 1.16 eV on graphene, to study how low-energy carriers interact with lattice vibrations.…
Theory and computation of Hall scattering factor in graphene
Francesco Macheda, Samuel Poncé, Feliciano Giustino +1
The Hall scattering factor, , is a key quantity for establishing carrier concentration and drift mobility from Hall measurements; in experiments it is usually assumed to be 1. I…