Ab initio simulation of attosecond transient absorption spectroscopy in two-dimensional materials

Appl. Sci. 2018, 8(10), 1777 (2018)

Ab initio simulation of attosecond transient absorption spectroscopy in two-dimensional materials

Shunsuke A. Sato, Hannes Hübener, Umberto De Giovannini, Angel Rubio

We extend the first-principles analysis of attosecond transient absorption spectroscopy to two-dimensional materials. As an example of two-dimensional materials, we apply the analysis to monolayer hexagonal boron nitride (h-BN) and compute its transient optical properties under intense few-cycle infrared laser pulses. Nonadiabatic features are observed in the computed transient absorption spectra. To elucidate the microscopic origin of these features, we analyze the electronic structure of h-BN with density functional theory and investigate the dynamics of specific energy bands with a simple two-band model. Finally, we find that laser-induced intraband transitions play a significant role in the transient absorption even for the two-dimensional material and that the nonadiabatic features are induced by the dynamical Franz-Keldysh effect with an anomalous band dispersion.

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Doi
http://dx.doi.org/10.3390/app8101777
arxiv
http://arxiv.org/abs/1809.01408
Notes
We acknowledge financial support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13) and the European Union’s Horizon 2020 Research and Innovation program under Grant Agreements no. 676580 (NOMAD). The Flatiron Institute is a division of the Simons Foundation. S.A.S. acknowledges support by Alexander von Humboldt Foundation.

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