Ellipsometric characterization and density-functional theory analysis of anisotropic optical properties of single-crystal α-SnS

We report on the anisotropic optical properties of single-crystal tin monosulfide (SnS). The components εa, εb, and εc of the pseudodielectric-function tensor 〈ε〉 = 〈ε1〉 + i〈ε2〉 spectra are taken from 0.73 to 6.45 eV by spectroscopic ellipsometry. The measured 〈ε〉 spectra are in a good agreement with the results of the calculated dielectric response from hybrid density functional theory. The 〈ε〉 spectra show the direct band-gap onset and a total of eight above-band-gap optical structures that are associated with the interband-transition critical points (CPs). We obtain accurate CP energies by fitting analytic CP expressions to second-energy-derivatives of the 〈ε〉 data. Their probable electronic origins and implications for photovoltaic applications are discussed.