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  High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response

Le Breton, G., Rubio, A., & Tancogne-Dejean, N. (2018). High-harmonic generation from few-layer hexagonal boron nitride: Evolution from monolayer to bulk response. Physical Review B, 98(16): 165308. doi:10.1103/PhysRevB.98.165308.

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PhysRevB.98.165308.pdf (Publisher version), 4MB
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https://arxiv.org/abs/1807.02961 (Preprint)
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https://dx.doi.org/10.1103/PhysRevB.98.165308 (Publisher version)
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 Creators:
Le Breton, G.1, 2, Author
Rubio, A.2, Author           
Tancogne-Dejean, N.2, Author           
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1Département de Physique, École Normale Supérieure de Lyon, Université Claude Bernard Lyon 1, ou_persistent22              
2Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              

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 Abstract: Two-dimensional materials offer a versatile platform to study high-harmonic generation (HHG), encompassing as limiting cases bulklike and atomiclike harmonic generation [Tancogne-Dejean and Rubio, Sci. Adv. 4, eaao5207 (2018)]. Understanding the high-harmonic response of few-layer semiconducting systems is important and might open up possible technological applications. Using extensive first-principles calculations within a time-dependent density functional theory framework, we show how the in-plane and out-of-plane nonlinear nonperturbative responses of two-dimensional materials evolve from the monolayer to the bulk. We illustrate this phenomenon for the case of multilayer hexagonal BN layered systems. Whereas the in-plane HHG is found not to be strongly altered by the stacking of the layers, we found that the out-of-plane response is strongly affected by the number of layers considered. This is explained by the interplay between the induced electric field, resulting from the electron-electron interaction, and the interlayer delocalization of the wave functions contributing most to the HHG signal. The gliding of a bilayer is also found to affect the high-harmonic emission. Our results will have important ramifications for the experimental study of monolayer and few-layer two-dimensional materials beyond the case of hexagonal BN studied here as the results we found are generic and applicable to all two-dimensional semiconducting multilayer systems.

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Language(s): eng - English
 Dates: 2018-07-082018-09-072018-10-292018-10-29
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: arXiv: 1807.02961
DOI: 10.1103/PhysRevB.98.165308
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Project name : We acknowledge financial support from the European Research Council (Grant No. ERC-2015-AdG-694097) and Grupos Consolidados (Grant No. IT578-13). We would like to thank O. Mücke and M. Altarelli for fruitful discussions.
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 98 (16) Sequence Number: 165308 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008