A Numerical Analysis of Electronic and Optical Properties of the Zigzag MoS2 Nanoribbon Under Uniaxial Strain

In this paper, we investigate the transmission spectrum, current-voltage (I-V$ ) characteristics and dielectric function of the zigzag MoS
₂
nanoribbon with and without a uniaxial tensile strain. By considering only the nearest neighbor atoms, we will first calculate the band structure for this material using the tight-binding method. Then, we present the transmission spectrum and the I-V characteristics by employing nonequilibrium Green's function formalism in conjunction with the Landauer formula. Due to the presence of edge states, in the zigzag nanoribbons, this material demonstrates a metallic behavior. We also study the aforementioned parameters in the presence of the strain in the range of 10%-20%. Results indicate that applying a tensile strain of the order of 10% opens up a direct gap within the energy bands. This gap increases upon increasing the strain. Furthermore, the current increases with increase in the tensile strain as well as the number of atoms at the ribbon's edge. Our numerical simulations also predict possible transitions between subbands. Strain intensifies the amplitude of the dielectric function at lower energies. These results can be instrumental for the design of nanoscale photonic devices based on the nanoribbon MoS
₂
.