Temperature-dependent optical constants of monolayer [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text]: spectroscopic ellipsometry and first-principles calculations.

The temperature-dependent ([Formula: see text]) optical constants of monolayer [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text] were investigated through spectroscopic ellipsometry over the spectral range of 0.73-6.42 eV. At room temperature, the spectra of refractive index exhibited several anomalous dispersion features below 800 nm and approached a constant value of 3.5-4.0 in the near-infrared frequency range. With a decrease in temperature, the refractive indices decreased monotonically in the near-infrared region due to the temperature-dependent optical band gap. The thermo-optic coefficients at room temperature had values from [Formula: see text] to [Formula: see text] for monolayer transition metal dichalcogenides at a wavelength of 1200 nm below the optical band gap. The optical band gap increased with a decrease in temperature due to the suppression of electron-phonon interactions. On the basis of first-principles calculations, the observed optical excitations at 4.5 K were appropriately assigned. These results provide basic information for the technological development of monolayer transition metal dichalcogenides-based photonic devices at various temperatures.