Abstract

In this work has been designed for SnS2/InSe heterostructures bilayer by using SnS2and InSe monolayers, and the structural, electronic and optical properties of SnS2/InSe heterostructures were studied using first-principle calculations. Can be produced with the two-dimensional stacking method SnS2 and InS monolayers, and the force responsible for the bonding of the layers is Van der Waals (VdW) forces. The lattice constants, interstitial spacing, and bonding energies were characterized by being independent of the layers. The electronic transitions of the heterostructures are indirectly having an optical gap energy range between (0.471-0.631) eV, while the direct energy gap ranges from (0.956-1.123) eV. The results show that the absorption coefficient for SnS2/InSe heterostructures starts in the visible light region; can be observed that all peaks for these bilayers begin in the ultraviolet area. We explored that the refractive index property of the heterostructures, their peaks start in the infrared region, while the maximum peaks are located in the visible light region.The SnS2/InSe heterostructures have different and unusual structural, optical and electronic properties, therefore emphasized when studying this type of semiconductor material. These properties are suitable for uses in electronic and optical devices such as transistors, optical detection and solar cells. Also, well been studied the curves of phonons and their effects on the stability of the systems, discovered that all frequencies are positive (this means that systems are stable).

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The article was added to IASJ on 2020-08-18

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