Colossal switchable photocurrents in topological Janus transition metal dichalcogenides

Xu, Haowei; Wang, Hua; Zhou, Jian; Guo, Yunfan; Kong, Jing; Li, Ju

doi:10.1038/s41524-021-00499-4

Title: Colossal switchable photocurrents in topological Janus transition metal dichalcogenides

Abstract

Abstract Nonlinear optical properties, such as bulk photovoltaic effects, possess great potential in energy harvesting, photodetection, rectification, etc. To enable efficient light–current conversion, materials with strong photo-responsivity are highly desirable. In this work, we predict that monolayer Janus transition metal dichalcogenides (JTMDs) in the 1T′ phase possess colossal nonlinear photoconductivity owing to their topological band mixing, strong inversion symmetry breaking, and small electronic bandgap. 1T′ JTMDs have inverted bandgaps on the order of 10 meV and are exceptionally responsive to light in the terahertz (THz) range. By first-principles calculations, we reveal that 1T′ JTMDs possess shift current (SC) conductivity as large as 2300 nm μA V ⁻² , equivalent to a photo-responsivity of 2800 mA/W. The circular current (CC) conductivity of 1T′ JTMDs is as large as ∼10 ⁴ nm μA V ⁻² . These remarkable photo-responsivities indicate that the 1T′ JTMDs can serve as efficient photodetectors in the THz range. We also find that external stimuli such as the in-plane strain and out-of-plane electric field can induce topological phase transitions in 1T′ JTMDs and that the SC can abruptly flip their directions. The abrupt change of the nonlinear photocurrent can be used to characterize the topological transition and has potential applications in 2D optomechanics and nonlinearmore » optoelectronics.« less

Authors:

Xu, Haowei; Wang, Hua; Zhou, Jian; Guo, Yunfan; Kong, Jing;

Publication Date:: Thu Feb 18 00:00:00 EST 2021

Sponsoring Org.:: USDOE

OSTI Identifier:: 1766579

Resource Type:: Published Article

Journal Name:: npj Computational Materials

Additional Journal Information:: Journal Name: npj Computational Materials Journal Volume: 7 Journal Issue: 1; Journal ID: ISSN 2057-3960

Publisher:: Nature Publishing Group

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Xu, Haowei, Wang, Hua, Zhou, Jian, Guo, Yunfan, Kong, Jing, and Li, Ju. Colossal switchable photocurrents in topological Janus transition metal dichalcogenides.  United Kingdom: N. p., 2021. 
Web.  doi:10.1038/s41524-021-00499-4.

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                    Xu, Haowei, Wang, Hua, Zhou, Jian, Guo, Yunfan, Kong, Jing, & Li, Ju. Colossal switchable photocurrents in topological Janus transition metal dichalcogenides.  United Kingdom.  https://doi.org/10.1038/s41524-021-00499-4

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                    Xu, Haowei, Wang, Hua, Zhou, Jian, Guo, Yunfan, Kong, Jing, and Li, Ju. Thu .  
"Colossal switchable photocurrents in topological Janus transition metal dichalcogenides".  United Kingdom.  https://doi.org/10.1038/s41524-021-00499-4.

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@article{osti_1766579,

  title        = {Colossal switchable photocurrents in topological Janus transition metal dichalcogenides},

  author       = {Xu, Haowei and Wang, Hua and Zhou, Jian and Guo, Yunfan and Kong, Jing and Li, Ju},

  abstractNote = {Abstract Nonlinear optical properties, such as bulk photovoltaic effects, possess great potential in energy harvesting, photodetection, rectification, etc. To enable efficient light–current conversion, materials with strong photo-responsivity are highly desirable. In this work, we predict that monolayer Janus transition metal dichalcogenides (JTMDs) in the 1T′ phase possess colossal nonlinear photoconductivity owing to their topological band mixing, strong inversion symmetry breaking, and small electronic bandgap. 1T′ JTMDs have inverted bandgaps on the order of 10 meV and are exceptionally responsive to light in the terahertz (THz) range. By first-principles calculations, we reveal that 1T′ JTMDs possess shift current (SC) conductivity as large as 2300 nm μA V −2 , equivalent to a photo-responsivity of 2800 mA/W. The circular current (CC) conductivity of 1T′ JTMDs is as large as ∼10 4  nm μA V −2 . These remarkable photo-responsivities indicate that the 1T′ JTMDs can serve as efficient photodetectors in the THz range. We also find that external stimuli such as the in-plane strain and out-of-plane electric field can induce topological phase transitions in 1T′ JTMDs and that the SC can abruptly flip their directions. The abrupt change of the nonlinear photocurrent can be used to characterize the topological transition and has potential applications in 2D optomechanics and nonlinear optoelectronics.},

  doi          = {10.1038/s41524-021-00499-4},

  journal      = {npj Computational Materials},

  number       = 1,

  volume       = 7,

  place        = {United Kingdom},

  year         = {Thu Feb 18 00:00:00 EST 2021},

  month        = {Thu Feb 18 00:00:00 EST 2021}

}

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Title: Colossal switchable photocurrents in topological Janus transition metal dichalcogenides

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Giant photogalvanic effect and second-harmonic generation in magnetic axion insulators journal, July 2020

Ultrafast Photovoltaic Response in Ferroelectric Nanolayers journal, February 2012

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Tuning Electronic Structure of Bilayer MoS 2 by Vertical Electric Field: A First-Principles Investigation journal, September 2012

Nonlinear photoresponse of type-II Weyl semimetals journal, March 2019

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Intrinsic Electric Field-Induced Properties in Janus MoSSe van der Waals Structures journal, January 2019

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A comparison of the performance of a photovoltaic HgCdTe detector with that of large area single pixel QWIPs for infrared radiometric applications journal, April 2005

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Universal phase diagrams for the quantum spin Hall systems
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Optomechanical control of stacking patterns of h-BN bilayer
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Voltage-tunable circular photogalvanic effect in silicon nanowires
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Switchable magnetic bulk photovoltaic effect in the two-dimensional magnet CrI3
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Inhomogeneous Electron Gas
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Quantized circular photogalvanic effect in Weyl semimetals
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Giant Photonic Response of Mexican-Hat Topological Semiconductors for Mid-infrared to Terahertz Applications
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Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
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Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
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Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
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Above-bandgap voltages from ferroelectric photovoltaic devices
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Phase transition between the quantum spin Hall and insulator phases in 3D: emergence of a topological gapless phase
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Tuning phase transition between quantum spin Hall and ordinary insulating phases
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Enhancement of the Bulk Photovoltaic Effect in Topological Insulators
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Ab initio calculation of the shift photocurrent by Wannier interpolation
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High efficient photovoltaics in nanoscaled ferroelectric thin films
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