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Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
Shuo Deng,
Yan Zhang,
Lijie Li 
Applied Surface Science, Volume: 476, Pages: 308 - 316
Swansea University Author:
Lijie Li
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DOI (Published version): 10.1016/j.apsusc.2019.01.097
Abstract
We report electronic and optical properties of the MoS2/PtS2 heterogeneous interfaces subject to various twisting angles based on the first principles simulation. In order to sustain the structural stability and avoid to have a large size cell, the optimized rotation angles of the MoS2/PtS2 heteroge...
| Published in: | Applied Surface Science |
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| ISSN: | 0169-4332 |
| Published: |
2019
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| Online Access: |
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| URI: | https://cronfa.swan.ac.uk/Record/cronfa48171 |
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| Abstract: |
We report electronic and optical properties of the MoS2/PtS2 heterogeneous interfaces subject to various twisting angles based on the first principles simulation. In order to sustain the structural stability and avoid to have a large size cell, the optimized rotation angles of the MoS2/PtS2 heterogeneous interfaces are 19.1°, 30.0° and 40.9°. It is found from the first principle simulation that the absolute passband amplitude of the refractive index, extinction coefficient, reflectivity and absorption coefficient curves under 30.0° rotation angle are 6–12 times higher than 19.1° and 40.9° rotation angles of the MoS2/PtS2 heterogeneous interfaces. Moreover, under the 30.0° twisting angle, the absorption coefficient in the absorption spectrum can reach to or above 105/cm. The absorption spectrum has a red-shift and a broadening effect with the tensile strain, from roughly 700 nm (0% externally strain) to 1050 nm (5% externally strain). The prominent optical properties of MoS2/PtS2 heterogeneous interface under 30° rotation angle still exist after taking into consideration the spin-orbit coupling (SOC) effect. These results suggest that the MoS2/PtS2 heterogeneous interfaces will have great potential applications in tunable optoelectronic devices. |
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| Keywords: |
MoS2/PtS2 heterogeneous structure, Twisting angle, Strain engineering, Optical performance |
| College: |
Faculty of Science and Engineering |
| Start Page: |
308 |
| End Page: |
316 |