Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials
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 inf...
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doaj-8ce8dd829d004b018b7d06531ba239b92020-11-25T00:09:35ZengMDPI AGApplied Sciences2076-34172018-09-01810177710.3390/app8101777app8101777Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional MaterialsShunsuke A. Sato0Hannes Hübener1Umberto De Giovannini2Angel Rubio3Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, GermanyMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, GermanyMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, GermanyMax Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, GermanyWe 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.http://www.mdpi.com/2076-3417/8/10/1777attosecond transient absorption spectroscopytime-dependent density functional theoryfirst-principles simulation |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Shunsuke A. Sato Hannes Hübener Umberto De Giovannini Angel Rubio |
spellingShingle |
Shunsuke A. Sato Hannes Hübener Umberto De Giovannini Angel Rubio Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials Applied Sciences attosecond transient absorption spectroscopy time-dependent density functional theory first-principles simulation |
author_facet |
Shunsuke A. Sato Hannes Hübener Umberto De Giovannini Angel Rubio |
author_sort |
Shunsuke A. Sato |
title |
Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials |
title_short |
Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials |
title_full |
Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials |
title_fullStr |
Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials |
title_full_unstemmed |
Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials |
title_sort |
ab initio simulation of attosecond transient absorption spectroscopy in two-dimensional materials |
publisher |
MDPI AG |
series |
Applied Sciences |
issn |
2076-3417 |
publishDate |
2018-09-01 |
description |
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. |
topic |
attosecond transient absorption spectroscopy time-dependent density functional theory first-principles simulation |
url |
http://www.mdpi.com/2076-3417/8/10/1777 |
work_keys_str_mv |
AT shunsukeasato abinitiosimulationofattosecondtransientabsorptionspectroscopyintwodimensionalmaterials AT hanneshubener abinitiosimulationofattosecondtransientabsorptionspectroscopyintwodimensionalmaterials AT umbertodegiovannini abinitiosimulationofattosecondtransientabsorptionspectroscopyintwodimensionalmaterials AT angelrubio abinitiosimulationofattosecondtransientabsorptionspectroscopyintwodimensionalmaterials |
_version_ |
1725411114569695232 |