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  Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials

Sato, S., Hübener, H., de Giovannini, U., & Rubio, A. (2018). Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials. Applied Sciences, 8(10): 1777. doi:10.3390/app8101777.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-552C-E Version Permalink: http://hdl.handle.net/21.11116/0000-0003-A028-B
Genre: Journal Article

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applsci-08-01777.pdf (Publisher version), 3MB
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This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.
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2018
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© by the authors. Licensee MDPI, Basel, Switzerland.

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https://dx.doi.org/10.3390/app8101777 (Publisher version)
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 Creators:
Sato, S.1, Author              
Hübener, H.1, Author              
de Giovannini, U.1, Author              
Rubio, A.1, 2, Author              
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Center for Computational Quantum Physics (CCQ), The Flatiron Institute, New York, ou_persistent22              

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Free keywords: attosecond transient absorption spectroscopy; time-dependent density functional theory; first-principles simulation
 Abstract: 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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Language(s): eng - English
 Dates: 2018-09-052018-09-192018-09-302018-10
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.3390/app8101777
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Project name : The Flatiron Institute is a division of the Simons Foundation. S.A.S. acknowledges support by Alexander von Humboldt Foundation.
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Title: Applied Sciences
Source Genre: Journal
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Publ. Info: Basel, Schweiz : MDPI
Pages: - Volume / Issue: 8 (10) Sequence Number: 1777 Start / End Page: - Identifier: ISSN: 2076-3417
CoNE: https://pure.mpg.de/cone/journals/resource/2076-3417