Optical Properties and Electronic Density of States.

Abstract

The fundamental absorption spectrum of a solid yields information about critical points in the optical density of states. This information can be used to adjust parameters of the band structure. Once the adjusted band structure is known, the optical properties and the density of states can be generated by numerical integration. We review in this paper the parametrization techniques used for obtaining band structures suitable for density of states calculations. The calculated optical constants are compared with experimental results. The energy derivative of these optical constants is discussed in connection with results of modulated reflectance measurements. It is also shown that information about density of empty states can be obtained from optical experiments involving excitation from deep core levels to the conduction band. A detailed comparison of the calculated one-electron optical line shapes with experiment reveals deviations which can be interpreted as exciton effects. The accumulating experimental evidence pointing in this direction is reviewed together with the existing theory of these effects. A number of simple models for the complicated interband density of states of an insulator have been proposed. We review in particular the Penn model, which can be used to account for response functions at zero frequency, and the parabolic model, which can be used to account for the dispersion of response functions in the immediate vicinity of the fundamental absorption edge.