30 citations · 171 across the 24 of their papers we have counts for
6 papers · 1 filter
Elastic Constants and Bending Rigidities from Long-Wavelength Perturbation Expansions
Changpeng Lin, Samuel Poncé, Francesco Macheda +2
Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is ef…
Variational formulation of dynamical electronic response functions in presence of nonlocal exchange interactions
Giovanni Caldarelli, Alberto Guandalini, Francesco Macheda +1
We consider the dynamical electronic response function in theoretical frameworks that include nonlocal exchange interactions, such as the Bethe-Salpeter equation with the frequency…
High- and low-energy many-body effects of graphene in a unified approach
Alberto Guandalini, Giovanni Caldarelli, Francesco Macheda +1
We show that the many-body features of graphene band structure and electronic response can be accurately evaluated by applying many-body perturbation theory to a tight-binding (TB)…
First principles calculations of dynamical Born effective charges, quadrupoles and higher order terms from the charge response in large semiconducting and metallic systems
Francesco Macheda, Paolo Barone, Francesco Mauri
Within the context of first principles techniques we present a theoretical and computational framework to quickly determine, at finite momentum, the self-consistent (longitudinal)…
Quantized Born Effective charges as probes for the topological phase transition in the Haldane and Kane-Mele models
Paolo Fachin, Francesco Macheda, Paolo Barone +1
We propose a new approach to study the transition between different topological states, based on the assessment of the vibrational resonances in infrared spectra. We consider the H…
Ab-initio Van der Waals electrodynamics: polaritons and electron scattering from plasmons and phonons in BN-capped graphene
Francesco Macheda, Francesco Mauri, Thibault Sohier
Plasmons and polar phonons are elementary electrodynamic excitations of matter. In 2d and at long wavelengths, they couple to light and act as the system polaritons. They also dict…