Photo-absorption properties of van der Waals heterostructure of monolayer InSe with silicene, germanene and antimonene

Sengupta, A. , Dominguez, A. and Frauenheim, T. (2019) Photo-absorption properties of van der Waals heterostructure of monolayer InSe with silicene, germanene and antimonene. Applied Surface Science, 475, pp. 774-780. (doi: 10.1016/j.apsusc.2019.01.054)

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In this work, we study van der Waals (vdW) heterostructures consisting of the emerging photonic material, 2-dimensional (2D) InSe, with the lattice-matched 2D materials silicene, germanene and antimonene, using ab-initio simulations. We employ density functional theory (DFT) to calculate the structural and electronic properties of the vdW hetero-bilayers. The optical spectra of the systems are evaluated by solving the Bethe-Salpeter equation (BSE) on top of the GW quasiparticle bands. A strong response in the IR-visible region of the optical spectra is seen in case of InSe-Si and InSe-Ge vdW lattice whereas the InSe-Sb structure shows better performance in the visible-UV region, with better prospect of excitonic charge separation. A good absorbance in the IR-visible and the visible-UV region, can be achieved with these structures with computed theoretical photocurrent densities significantly larger than conventional photovoltaic materials. While individually the vdW structures can be useful in photonic applications, the complimentary nature of absorption with InSe-Sb and InSe-Si/Ge structures can also be utilized in multi-junction heterostructure solar cells.

Item Type:Articles
Additional Information:A.S. thanks DST, Govt. of India for DST INSPIRE Faculty award (Grant No. IFA-13 ENG-62) and the guest researcher fellowship form DFG Research Training Group RTG 2247. This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 753874.
Glasgow Author(s) Enlighten ID:Sengupta, Dr Amretashis
Authors: Sengupta, A., Dominguez, A., and Frauenheim, T.
College/School:College of Science and Engineering > School of Engineering > Systems Power and Energy
Journal Name:Applied Surface Science
ISSN (Online):1873-5584
Published Online:07 January 2019

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