Electronic & Optical properties of Transition-Metal Dichalcogenides

Transition-metal dichalcogenides (TMDCs) have emerged as a new class of semiconductors that display distinctive properties at the monolayer thickness.Their electronic and optical properties are of particular interest and importance for applications in optoelectronics as light emitters, detectors, and photovoltaic devices.In the first part of this study, the temperature dependence of the energy gap of TMDCs (MoS 2 , MoSe 2 , WS 2 and WSe 2 ) for monolayers is discussed.The second part focuses on the determination and analysis of the spectral properties of these materials, at monolayer and bulk, in the range of 1.5-3.0eV by MATLAB simulations.The optical bandgaps of TMDC monolayers have been simulated from their spectral dependence of the absorption coefficient.Case studies of the simulation of the optical properties of these materials on silicon, gold and fused silica substrates are presented.