• Journal of Inorganic Materials
  • Vol. 37, Issue 5, 527 (2022)
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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    DOI: 10.15541/jim20210317 Cite this Article
    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 Copy Citation Text show less
    (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
    (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
    (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
    Band structures of monolayer MoSi2N4 under the plane strain
    4. Band structures of monolayer MoSi2N4 under the plane strain
    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
    Change of effective mass on monolayer MoSi2N4 under the plane strain
    6. Change of effective mass on monolayer MoSi2N4 under the plane strain
    Optical absorption of monolayer MoSi2N4 under the plane strain
    7. Optical absorption of monolayer MoSi2N4 under the plane strain
    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
    Table 1. Band gap, effective mass and reduced mass of monolayer MoSi2N4 under different plane strains
    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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