Atomistic modeling of optical properties of thin films

A combined approach of ab-initio calculations of the dielectric function in the crystalline systems together with simulations for the light propagation on larger length scales can be used to verify and examine the experimental findings for layered structures consisting of optically anisotropic thin films. The polarization of the incident that light influences the optical absorption of highly ordered organic films, when changing its direction from parallel to perpendicular with respect to the molecular orientation were also investigated. The propagation direction of the incoming light is altered, and the optical response as a function of film morphology were also studied. All the simulated results allows for an explanation of the observed phenomena in the absorption spectra. The simulation mechanisms were concluded to be valuable tool to tune the optical properties of the organic films utilized in organic-semiconducting devices.