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Enhancing the optical absorption of Ga2SeTe Janus monolayer by adsorption of transition metals

  • Regular Article – Optical Phenomena and Photonics
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Abstract

Optical and electronic properties of transition metal adsorbed Ga2SeTe Janus monolayer have been investigated in detail using DFT simulations. Results suggests that the pristine Janus monolayer of Ga2SeTe shows high absorption (− 15 × 104 1/cm) in few portions of the spectrum (− 380–430 nm). Metal adsorbed structures Ga2SeTe/Ni, Ga2SeTe/Pd, Ga2SeTe/Pt and Ga2SeTe/V results into redshift phenomena, which means that the absorption increases with the wavelength, or we can say that the absorption coefficient moved toward the red range of the spectrum. Absorption coefficient of Ni adsorbed structure is four times higher (− 60 × 104 1/cm) than the pristine Janus monolayer of Ga2SeTe. Considerably, higher absorption is also seen in other structures in the entire visible range (− 380–790 nm) of the spectrum. Dielectric function and refractive index of all metal adsorbed structures also calculated, and it is found that the absorption coefficient is in line with the dielectric constant. Due to its higher absorption peaks in the whole visible region, it is a potential candidate for optoelectronic applications and photovoltaic absorbers.

Graphical abstract

Absorption coefficient of Ni adsorbed structure is found to be four times higher (~ 60 × 104 (1/cm) than the pristine Janus monolayer of Ga2SeTe (− 15 × 104 1/cm). Higher absorption is also seen in other doped structures in the entire visible range (− 380–790 nm) of the spectrum. It is also observed that the red-shift phenomenon exists for all the metal adsorbed structures in comparison with pristine Ga2SeTe Janus monolayer. From the below shown Figure, we see that pristine Ga2SeTe monolayer has higher absorption peaks in the ultraviolet (UV) region (− 380–430 nm range) and shifts from ultraviolet region to visible (from higher energy to lower energy/ from left to right) region of the spectrum for metal adsorbed structures also called red-shift.

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Data Availability Statement

This manuscript has no associated data or the data will not be deposited. [Authors’ comment: There is no separate data, all data is provided in the paper.]

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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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SS developed the theoretical formalism, performed the analytic calculations and the numerical simulations. SS wrote the manuscript with inputs from the Dr. SC and both authors contributed to the final version of the manuscript. Both authors discussed the results and commented on the manuscript. Dr. SC supervised the project.

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Correspondence to Sapna Singh.

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Singh, S., Choudhary, S. Enhancing the optical absorption of Ga2SeTe Janus monolayer by adsorption of transition metals. Eur. Phys. J. D 76, 15 (2022). https://doi.org/10.1140/epjd/s10053-022-00341-6

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