Author

Claudio Attaccalite

3 papers indexed here

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Preprint Oct 2026

Phonon-assisted shift-current from first-principles: application to AlN monolayer

In this work, we present a first-principles approach to investigate phonon-assisted shift current in extended systems. Our method combines the special displacement technique with real-time simulations based on the dynamical Berry phase. Merging these two frameworks enables direct access to non-linear optical responses...

Yun-Cheng Mao, Pierre Lechifflart, E. Cannuccia et al. · 0 citations

Preprint Aug 2026

Dark exciton signatures in the infrared transient absorption of MoS$_2$ monolayer

Dark excitons play a central role in the nonequilibrium dynamics of two-dimensional semiconductors, but remain difficult to characterize. Transient-absorption experiments, with probes tuned in exciton-exciton transitions energy range (exc-tr-abs), can detect excitations from any populated dark excitons, including symme...

Tian-Xiang Qian, M. D'Alessandro, Claudio Attaccalite et al. · 0 citations

Preprint Sep 2026

Temperature-Dependent nonlinear optics from first-principles: Second-Harmonic Generation in few-layers MoS$_2$

We present a first-principles real-time approach to study non-linear response of solids at finite temperature. Finite temperature effects are included as renormalization of the quasiparticle energies and a dephasing term proportional to the quasiparticle lifetimes. We evaluate electron-phonon matrix elements from Densi...

Anna Romani, Claudio Attaccalite, M. Grüning · 0 citations