Journal of Synthetic Crystals, Volume. 53, Issue 4, 676(2024)

First-Principles Study on Photogalvanic Effect and Strain Engineering of Monolayer SnS

XU Zhonghui1,2、*, XU Shengyuan1, LIU Chuanchuan1, and LIU Guogang3
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • 3[in Chinese]
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    Photodetectors are widely used in various fields, such as industrial manufacturing and military defense. Researchers have recently sought a photodetector that combines high polarization sensitivity and a robust optical response. As an anisotropic semiconductor material, SnS holds potential for photodetection across the visible light spectrum. This study employs first-principles density functional theory (DFT) along with the non-equilibrium Green's function (NEGF) method to theoretically investigate the optoelectronic properties of the SnS monolayer in two device orientations: Armchair and Zigzag. It is found that the maximum photocurrent values between the two orientations are small at zero bias voltage, and stable photocurrent can be obtained by adding bias voltage. We examine the maximum photocurrent variation under linearly polarized light irradiation within a small bias voltage range (0.1 to 1.0 V), found for the maximum photoresponse of monolayer SnS to be large and stable at photon energy of 2.4 and 3.2 eV, and analyze the underlying mechanism of photoresponse, employing energy band and density of state diagrams. Additionally, we have calculated the extinction ratio of the SnS monolayer, confirming its strong polarization sensitivity. Finally, by subjecting the device to biaxial strain, we significantly speculate to enhance its asymmetry, leading to a substantial increase in photocurrent at zero bias. A compressive strain of -6% notably increases the photocurrent. These findings offer valuable theoretical insights for the design of SnS monolayers as photodetectors.

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    XU Zhonghui, XU Shengyuan, LIU Chuanchuan, LIU Guogang. First-Principles Study on Photogalvanic Effect and Strain Engineering of Monolayer SnS[J]. Journal of Synthetic Crystals, 2024, 53(4): 676

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    Paper Information

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    Received: Dec. 4, 2023

    Accepted: --

    Published Online: Aug. 22, 2024

    The Author Email: Zhonghui XU (longxister@163.com)

    DOI:

    CSTR:32186.14.

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