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Journal of Inorganic Materials, Volume. 37, Issue 5, 527(2022)

Plane Strain on Band Structures and Photoelectric Properties of 2D Monolayer MoSi2N4

Gang YUAN1... Xinguo MA1,2,*, Hua HE2, Shuiquan DENG3, Wangyang DUAN1, Zhengwang CHENG1 and Wei ZOU1 |Show fewer author(s)
Author Affiliations
  • 11. School of Science, Hubei University of Technology, Wuhan 430068, China
  • 22. Hubei Engineering Technology Research Center of Energy Photoelectric Device and System, Wuhan 430068, China
  • 33. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
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    AbstractGet PDF(in Chinese)
    Figures&Tables (8)
    Equations (6)
    References (31)
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    Figures & Tables(8)
    (a) Top view and (b) side view of 3×3 supercell monolayer MoSi2N4
    1. (a) Top view and (b) side view of 3×3 supercell monolayer MoSi2N4

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    (a) Total energy under different strain and (b) phonon dispersions of monolayer MoSi2N4
    2. (a) Total energy under different strain and (b) phonon dispersions of monolayer MoSi2N4

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    (a) Path of the Brillouin region, (b) band structure, density of states and LUMO-HUMO diagram of monolayer MoSi2N4
    3. (a) Path of the Brillouin region, (b) band structure, density of states and LUMO-HUMO diagram of monolayer MoSi2N4

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    Band structures of monolayer MoSi2N4 under the plane strain
    4. Band structures of monolayer MoSi2N4 under the plane strain

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    Total and partial density of states of monolayer MoSi2N4 under the plane strain Colorful figures are available on website
    5. Total and partial density of states of monolayer MoSi2N4 under the plane strain Colorful figures are available on website

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    Change of effective mass on monolayer MoSi2N4 under the plane strain
    6. Change of effective mass on monolayer MoSi2N4 under the plane strain

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    Optical absorption of monolayer MoSi2N4 under the plane strain
    7. Optical absorption of monolayer MoSi2N4 under the plane strain

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    • Table 1. Band gap, effective mass and reduced mass of monolayer MoSi2N4 under different plane strains

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      Table 1. Band gap, effective mass and reduced mass of monolayer MoSi2N4 under different plane strains

      Strain/%Eg/eVme*/m0mh*/m0u
      -42.680.6760.6260.325
      -22.260.5390.6250.289
      01.790.4460.6150.258
      21.350.3900.5790.233
      41.010.2790.5340.183
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    Gang YUAN, Xinguo MA, Hua HE, Shuiquan DENG, Wangyang DUAN, Zhengwang CHENG, Wei ZOU. Plane Strain on Band Structures and Photoelectric Properties of 2D Monolayer MoSi2N4[J]. Journal of Inorganic Materials, 2022, 37(5): 527

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    Paper Information

    Category: RESEARCH ARTICLE

    Received: May. 18, 2021

    Accepted: --

    Published Online: Jan. 10, 2023

    The Author Email: MA Xinguo (maxg2013@sohu.com)

    DOI:10.15541/jim20210317

    Topics

    laser devices and laser physics
    Lasers and Laser Optics
    Laser physics
    laser manufacturing
    Instrumentation, Measurement and Metrology