Strain effects on high-harmonic generation in monolayer hexagonal boron nitride

Based on the time-dependent density functional theory, we theoretically investigate the influence of mechanical strains on the high-order harmonic generation (HHG) in the monolayer hexagonal boron nitride (hBN) crystal. We show that mechanical strains can largely modify the band structure and facili...

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Main Authors: Xiao-Shuang Kong, Xiao-Yuan Wu , Lei Geng , Wan-Dong Yu
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-10-01
Series:Frontiers in Physics
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fphy.2022.1032671/full
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author Xiao-Shuang Kong
Xiao-Yuan Wu 
Lei Geng 
Wan-Dong Yu
author_facet Xiao-Shuang Kong
Xiao-Yuan Wu 
Lei Geng 
Wan-Dong Yu
author_sort Xiao-Shuang Kong
collection DOAJ
description Based on the time-dependent density functional theory, we theoretically investigate the influence of mechanical strains on the high-order harmonic generation (HHG) in the monolayer hexagonal boron nitride (hBN) crystal. We show that mechanical strains can largely modify the band structure and facilitate the harmonic emission. Compared to uniaxial strains, we find that biaxial strains may enhance the HHG yield significantly, and the HHG spectroscopy generated by a linearly polarized laser is closely related to the symmetry of the deformed hBN. Moreover, when driven by a circularly polarized laser, we find that the appearance of the 3n-order harmonics manifests the restoration of the three-fold rotational symmetry. Our results will be useful in controlling the HHG spectroscopy and probing lattice deformations in crystals.
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spelling doaj.art-93b3b697003f417d93142031f5341e482022-12-22T02:23:44ZengFrontiers Media S.A.Frontiers in Physics2296-424X2022-10-011010.3389/fphy.2022.10326711032671Strain effects on high-harmonic generation in monolayer hexagonal boron nitrideXiao-Shuang KongXiao-Yuan Wu Lei Geng Wan-Dong YuBased on the time-dependent density functional theory, we theoretically investigate the influence of mechanical strains on the high-order harmonic generation (HHG) in the monolayer hexagonal boron nitride (hBN) crystal. We show that mechanical strains can largely modify the band structure and facilitate the harmonic emission. Compared to uniaxial strains, we find that biaxial strains may enhance the HHG yield significantly, and the HHG spectroscopy generated by a linearly polarized laser is closely related to the symmetry of the deformed hBN. Moreover, when driven by a circularly polarized laser, we find that the appearance of the 3n-order harmonics manifests the restoration of the three-fold rotational symmetry. Our results will be useful in controlling the HHG spectroscopy and probing lattice deformations in crystals.https://www.frontiersin.org/articles/10.3389/fphy.2022.1032671/fullmechanical strainshigh-order harmonic generationmonolayer hexagonal boron nitride crystaltime-dependent density functional theorylaser-matter interaction
spellingShingle Xiao-Shuang Kong
Xiao-Yuan Wu 
Lei Geng 
Wan-Dong Yu
Strain effects on high-harmonic generation in monolayer hexagonal boron nitride
Frontiers in Physics
mechanical strains
high-order harmonic generation
monolayer hexagonal boron nitride crystal
time-dependent density functional theory
laser-matter interaction
title Strain effects on high-harmonic generation in monolayer hexagonal boron nitride
title_full Strain effects on high-harmonic generation in monolayer hexagonal boron nitride
title_fullStr Strain effects on high-harmonic generation in monolayer hexagonal boron nitride
title_full_unstemmed Strain effects on high-harmonic generation in monolayer hexagonal boron nitride
title_short Strain effects on high-harmonic generation in monolayer hexagonal boron nitride
title_sort strain effects on high harmonic generation in monolayer hexagonal boron nitride
topic mechanical strains
high-order harmonic generation
monolayer hexagonal boron nitride crystal
time-dependent density functional theory
laser-matter interaction
url https://www.frontiersin.org/articles/10.3389/fphy.2022.1032671/full
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AT xiaoyuanwu straineffectsonhighharmonicgenerationinmonolayerhexagonalboronnitride
AT leigeng straineffectsonhighharmonicgenerationinmonolayerhexagonalboronnitride
AT wandongyu straineffectsonhighharmonicgenerationinmonolayerhexagonalboronnitride