Abstract
Temperature and Fermi energy dependent exciton eigenenergies of monolayer molybdenum disulfide (MoS2) are calculated using an atomistic model. These exciton eigen-energies are used as the resonance frequencies of a hybrid Lorentz-Drude-Gaussian model, in which oscillation strengths and damping coefficients are obtained from the experimental results for the differential transmission and reflection spectra of monolayer MoS2 coated quartz and silicon substrates, respectively. Numerical results compared to experimental results found in the literature reveal that the developed permittivity model can successfully represent the monolayer MoS2 under different biasing conditions at different temperatures for the design and simulation of MoS2 based opto-electronic devices.
Highlights
Almost a half century ago, Frindt and Yoffe experimentally measured optical properties and photoconductivity of very thin crystals of molybdenum disulfide (MoS2) as functions of crystal thickness and temperature [1]
In parallel to the growing attention on two-dimensional (2D) transition-metal dichalcogenides (TMDs), there are several experimental studies found in the recent literature presenting absorption and/or photoluminescence spectra in the visible and near ultra-violet (UV) parts of the electromagnetic spectrum as functions of layer number, temperature, and gate voltage [3,4,5,6,7,8,9,10,11,12,13]
Numerical results show a very good agreement with the experimental results found in literature obtained using MoS2 on different substrates, applying a wide range of gate voltages, at different temperatures
Summary
Almost a half century ago, Frindt and Yoffe experimentally measured optical properties and photoconductivity of very thin crystals of molybdenum disulfide (MoS2) as functions of crystal thickness and temperature [1]. According to their measurements, there are five very distinct absorption peaks occurring at the wavelengths of 666, 605, 448, 395, and 270 nm at the room temperature. In order to design and simulate opto-electronic devices built with MoS2 or another similar 2D TMD, one needs to know its thickness (d) and complex electrical permittivity (εc) For the former, experimental and theoretical studies suggest d = 0.65 nm (about twice the in-plane lattice constant) for a monolayer MoS2. Numerical results show a very good agreement with the experimental results found in literature obtained using MoS2 on different substrates, applying a wide range of gate voltages, at different temperatures
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