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year 27, Issue 2 (ICOP & ICPET 2021 2021)
ICOP & ICPET _ INPC _ ICOFS 2021, 27(2): 683-686 |
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Alidoosty Shahraki M, Abdolhosseini S, Bashirpour M. Computational analysis of the effect of number of layers on the electro-optical properties of a two dimensional MoS2. ICOP & ICPET _ INPC _ ICOFS 2021; 27 (2) :683-686
URL: http://opsi.ir/article-1-2456-en.html
URL: http://opsi.ir/article-1-2456-en.html
1- School of Computer and Electrical Engineering, University of Tehran, Tehran, Iran
2- Microelectronics Research Laboratory, Department of Electrical and Computer Engineering, Urmia University, Urmia, Iran
2- Microelectronics Research Laboratory, Department of Electrical and Computer Engineering, Urmia University, Urmia, Iran
Abstract: (934 Views)
In this paper by first principle calculations implemented by density functional theory (DFT) and taking the van der Waals inter layer interactions into account, the optical photonic frequency depended electro-optical properties of two dimensional MoS2, is investigated. For this purpose, first the optimized mono and multi-layer structures are extracted and then the complex dielectric function, the refractive index, absorption and the reflectivity coefficients along different in-plane and out-of-plane directions are obtained. According to the results, increasing the number of layers enhances the uniformity of the structure so the electro-optical properties become more isotropic. The increase of the number of layers from single to double gains the electro-optical coefficients significantly, whereas further increase of the number of layers, indicates that there is not necessarily a direct relationship between the number of layers and the electro-optical properties.
Keywords: two dimensional materials, mono/bi/tri-layer MoS2, electro-optic properties, DFT calculations
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