Journal article 840 views 235 downloads
Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
Shuo Deng,
Yan Zhang,
Lijie Li 
IEEE Transactions on Nanotechnology, Pages: 1 - 1
Swansea University Author:
Lijie Li
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DOI (Published version): 10.1109/TNANO.2018.2805770
Abstract
We report changes of the band structure of hexagonal and orthorhombic cells of the monolayer molybdenum disulfide (MoS2) subject to various magnitude and direction of the mechanical strains based on the first principle method. The conduction band minimum (CBM) of this two-dimensional (2D) material h...
| Published in: | IEEE Transactions on Nanotechnology |
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| ISSN: | 1536-125X 1941-0085 |
| Published: |
2018
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| Online Access: |
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| URI: | https://cronfa.swan.ac.uk/Record/cronfa38744 |
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| Abstract: |
We report changes of the band structure of hexagonal and orthorhombic cells of the monolayer molybdenum disulfide (MoS2) subject to various magnitude and direction of the mechanical strains based on the first principle method. The conduction band minimum (CBM) of this two-dimensional (2D) material has been calculated to establish the relation with both the magnitude and direction of the strains. It is found that the CBM at Γ point of the hexagonal cell decreases in a slight concave shape for the tensile strain, and a convex shape for the compressive strain. For the orthorhombic cell, we demonstrate that the effect is almost independent on the direction of the applied tensile strain. However, there is a strong directional dependence for compressive strain. |
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| College: |
Faculty of Science and Engineering |
| Start Page: |
1 |
| End Page: |
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