• Khan Ahmad Anas
• S. Tahir Husen
• Sachin Rai
• Mohammad Imran Aziz

Germanene has recently sparked a lot of interest due to its outstanding electrical characteristics and possible applications in the field of electronics and optoelectronics. Density functional theory (DFT) was also used in the computational investigation. We examined the electrical and optical characteristics of these materials and associated heterostructures using first principle theory. The band structures of germanene and GaAs thin films and their heterostructures are computed. The bandgaps of germanene, GaAs and Ge/GaAs are 0 and 1.6, and 0.25 eV respectively. It was observed that the bandgap opening in the heterostructure of Ge/GaAs. For the optical properties calculation, the density functional theory (DFT) and random phase approximation (RPA) are used to calculate the real and imaginary components of the dielectric function for optical characteristics. Using these real and imaginary part of dielectric function the absorption coefficient, refractive index, optical conductivity and electron energy loss function (EELS) were calculated. It was observed that the absorption coefficient of germanene, GaAs and Ge/GaAs heterostructure are shown to be broadband light absorbers, with maximal absorption at 8.16, 7.0, and 5.29 eV.

2D materials, Germanene, Heterostructures, GaAs, Density functional theory (DFT)

"The structural, electronic and optical properties of novel germanene/GaAs heterostructure: A first principles study", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.10, Issue 7, page no.a793-a801, July-2023, Available :http://www.jetir.org/papers/JETIR2307097.pdf

"The structural, electronic and optical properties of novel germanene/GaAs heterostructure: A first principles study", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.10, Issue 7, page no. ppa793-a801, July-2023, Available at : http://www.jetir.org/papers/JETIR2307097.pdf