Spin structure and optical properties of cobalt octaethylporphyrin

Abstract

In this study, we have developed and used the advanced high-precision numerical techniques to accurately calculate the optical properties and spin structure, and access the details of spin dynamics of the cobalt octaethylporphyrin (CoOEP) in the THz pulse magnetic field. The optical spectra of CoOEP are calculated using first-principles based on the GW approximation. The optical properties, including complex dielectric function, optical reflectivity, extinction coefficient, refractive index and absorption coefficient up to 10 eV, together with the calculated spin structure are considered. The spin structure of CoOEP is described by means of the density of spin transitions within the terahertz range. The study covers both terahertz and visible ranges. On the basis of the obtained optical theoretical spectra and the spin structure of CoOEP, it can be concluded that the applied complex approach provides a detailed and accurate description of the optical properties of cobalt octaethylporphyrin within the whole range of energies.