Ab-initio calculations based on density functional theory have been performed to study the optical properties of the Li intercalated graphene and MoS2
In the past ten years the discovery of the graphene (Novoselov et al. 2004) and other 2D materials had started a completely new chapter in the material science. Graphene, a single atomic layer of carbon atoms arranged in a honeycomb lattice, has been attracting a remarkable attention for its unique properties (Zhang et al. 2005; Novoselov et al. 2007; Katsnelson et al. 2006; Kotov et al. 2012) ever since it was successfully isolated in 2004. Graphene’s specific electronic structure and unique combination of the optical electronic properties have risen numerous investigations of its optoelectronic properties and possible applications in photonics, energy applications and detectors. Graphene electrical conductivity and visual transparency makes it excellent candidate for ITO replacement in touch screen technology. Graphitic films (films of various thicknesses, monolayer to ultrathin graphite) are explored for its possible applications in optoelectronics. Several studies have presented excellent performances of graphene films of 30 Ω
For presented analysis, Quantum Espresso code (Giannozzi 2009), based on DFT, was used. The approach is based on an iterative solution of the Kohn–Sham equations of the DFT in a plane-wave basis set. The unit cell for Li-intercalated graphene was modeled in the 3×3
The imaginary part of the dielectric function of the MoS2
We calculate the dielectric function for the MoS2
In this paper we have studied the optical properties i.e. the dielectric function of the MoS2
