7 papers
Phonon assisted light absorption and emission in cubic-Boron Nitride
Ashwin Pillai, Elena Cannuccia, Aurelien Manchon +2
Cubic boron nitride (cBN) is a wide-bandgap polymorph of boron nitride whose optical response remains only partially understood due to the coexistence of indirect electronic transi…
Shift current in 2D Janus Transition-Metal Dichalcogenides: the role of excitons
Yuncheng Mao, Ju Zhou, Myrta Grüning +1
We investigate the shift current in two-dimensional (2D) Janus transition-metal dichalcogenides (TMDs). The shift current is evaluated using a real-time approach, where the couplin…
Magnetic Bulk Photovoltaic Effect in Bernal Bilayer Graphene
Yuncheng Mao, Claudio Attaccalite
We investigate the shift-current response of inversion-broken AB-stacked bilayer graphene under in-plane and perpendicular magnetic fields, from the perturbative regime to strong o…
A real-time approach to frequency-mixing spectroscopies: application to sum and difference frequency generation in two-dimensional crystals
Mike N. Pionteck, Myrta Grüning, Simone Sanna +1
We propose a computational framework to extract non-linear response functions from real-time simulations in the presence of more than one external field. We apply this approach to…
Moiré amplification of highly tunable shift current response in twisted trilayer graphene
Yuncheng Mao, Claudio Attaccalite, Diego GarcÃa Ovalle
In this work we analyze the shift current conductivity in helical twisted trilayer graphene. Without loss of generality, we show that the density of states and the twist angle set…
The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling
Fabio Caruso, Michael A. Sentef, Claudio Attaccalite +27
The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for und…