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RESEARCH PRODUCT

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

Shunsuke A. SatoHannes HübenerUmberto De GiovanniniAngel Rubio

subject

Materials scienceattosecond transient absorption spectroscopyAttosecondAb initioFOS: Physical sciences02 engineering and technologyElectronic structure01 natural sciencesMolecular physicslcsh:TechnologySettore FIS/03 - Fisica Della Materialcsh:Chemistry0103 physical sciencesUltrafast laser spectroscopyGeneral Materials Science010306 general physicsSpectroscopyInstrumentationlcsh:QH301-705.5Fluid Flow and Transfer ProcessesCondensed Matter - Materials Sciencelcsh:TProcess Chemistry and TechnologyGeneral EngineeringMaterials Science (cond-mat.mtrl-sci)Time-dependent density functional theory021001 nanoscience & nanotechnologylcsh:QC1-999Computer Science Applicationstime-dependent density functional theoryfirst-principles simulationlcsh:Biology (General)lcsh:QD1-999lcsh:TA1-2040Density functional theoryTransient (oscillation)0210 nano-technologylcsh:Engineering (General). Civil engineering (General)lcsh:PhysicsOptics (physics.optics)Physics - Optics

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&ndash

yearjournalcountryeditionlanguage
2018-09-30Applied Sciences
10.3390/app8101777http://dx.doi.org/10.3390/app8101777