Abstract
We demonstrate that a dynamical modification of the Hubbard in the model charge-transfer insulator NiO can be observed with state-of-the-art time-resolved absorption spectroscopy. Using a self-consistent time-dependent density functional theory plus computational framework, we show that the dynamical modulation of screening and Hubbard significantly changes the transient optical spectroscopy. Whereas we find the well-known dynamical Franz-Keldysh effect when the is frozen, we observe a dynamical band-gap renormalization for dynamical . The renormalization of the optical gap is found to be smaller than the renormalization of . This work opens up the possibility of driving a light-induced transition from a charge transfer into a Mott insulator phase.
- Received 26 June 2019
- Revised 5 February 2020
- Accepted 16 August 2020
DOI:https://doi.org/10.1103/PhysRevB.102.115106
Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Open access publication funded by the Max Planck Society.
Published by the American Physical Society