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First-Principles Study of Strain Engineered Electronic Properties of GeSe-SnS Hetero-bilayer

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Abstract

Vertical stacking of two dimensional (2D) materials is emerging as an exciting method for the design of next generation electronic and optoelectronic devices. Here, we employed first-principles calculations based on density functional theory to study the structural and electronic properties of the GeSe-SnS Van der Waals hetero-bilayer. Our results suggest that this hetero-bilayer is semiconducting in nature with a direct band gap of 0.9006 eV and also has an intrinsic type-II band alignment indicating an expectation for spontaneous electron-hole charge separation. The electronic responses of the hetero-bilayer are found to be sensitive and anisotropic to the applied strain. The direct band gap of the GeSe-SnS hetero-bilayer is tunable by strain within a considerable range (0.306–1.197 eV) and the transitions between direct–indirect band gap can repeatedly be obtained by applying compressive uniaxial and biaxial strains. The carrier effective masses of the hetero-bilayer can also be engineered by strain in a low mass range. These intriguing results suggest GeSe-SnS hetero-bilayer as a good candidate for applications in electronic and optoelectronic semiconductor devices.

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Author notes

  1. S. Ahmed, T. Taher and R. Chakraborty: These authors contributed equally to the work.

Authors and Affiliations

  1. Department of Electrical and Electronic Engineering, Bangladesh University of Engineering and Technology, Dhaka, 1205, Bangladesh

    Shahnewaz Ahmed, Towsif Taher, Rajat Chakraborty & Samia Subrina

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  1. Shahnewaz Ahmed
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  2. Towsif Taher
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  3. Rajat Chakraborty
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  4. Samia Subrina
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Correspondence to Samia Subrina.

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Ahmed, S., Taher, T., Chakraborty, R. et al. First-Principles Study of Strain Engineered Electronic Properties of GeSe-SnS Hetero-bilayer. J. Electron. Mater. 48, 6735–6741 (2019). https://doi.org/10.1007/s11664-019-07468-0

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