6 papers
The principle of detailed balance between electrons and phonons in presence of excitonic effects
Alberto Guandalini, Giovanni Caldarelli, Francesco Mauri +1
Based on a many-body formulation, we derive an electron-phonon coupling including excitonic effects that preserves thermodynamic detailed balance between electronic and phononic sc…
Effective single particle picture for anharmonic lattice dynamics: a Rosetta stone for electronic and ionic response
Giovanni Caldarelli, Francesco Mauri
We establish a theoretical framework for the dynamics of a lattice of ions in a mean-field approach, where anharmonicity is included via self-consistency. In this picture, the many…
Excitonic effects in phonons: reshaping the graphene Kohn anomalies and lifetimes
Alberto Guandalini, Francesco Macheda, Giovanni Caldarelli +1
We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects…
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)…
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…
Lattice thermal conductivity in the anharmonic overdamped regime
ÄorÄe DangiÄ, Giovanni Caldarelli, Raffaello Bianco +2
In crystalline materials, low lattice thermal conductivity is often associated with strong anharmonicity, which can cause significant deviations from the expected Lorentzian linesh…