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

1. (a) Top view and (b) side view of 3×3 supercell monolayer MoSi2N4

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

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

4. Band structures of monolayer MoSi2N4 under the plane strain

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

6. Change of effective mass on 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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