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Tuning the electronic and optical properties of Ga2SSe janus monolayer by adsorption of metals

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Abstract

The electronic and optical properties of Janus Ga2SSe monolayer are tuned by adsorption of metals like Au, Ag, Al and Cu over Ga2SSe layer using density functional theory-based simulations. The results suggest that the absorption in pristine Ga2SSe monolayer is mainly in the blue region of the visible spectrum. The absorption peaks increase in magnitude and shift towards the red region of the spectrum when Au, Ag, Al, and Cu metal atoms are adsorbed over the pristine Ga2SSe monolayer. The absorption peaks in Al adsorbed structure are observed to increase four times larger in magnitude than in pristine Ga2SSe layer. Significantly higher absorption is observed in other structures as well with the absorption peaks spread in the entire visible region range (~ 410–790 nm). Refractive index and dielectric function of all structures are also calculated, and it is found that absorption is closely in line with the trends of the dielectric function. High absorption obtained in the entire visible region in the metal adsorbed structures suggest their potential applications in photovoltaic absorbers and other optoelectronics devices.

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  1. National Institute of Technology, Kurukshetra, 136119, India

    Sapna Singh & Sudhanshu Choudhary

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  1. Sapna Singh
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Singh, S., Choudhary, S. Tuning the electronic and optical properties of Ga2SSe janus monolayer by adsorption of metals. Opt Quant Electron 53, 537 (2021). https://doi.org/10.1007/s11082-021-03148-8

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