Quantum seminar | 10 November 2025

A methodology for determining the crystal electric field (CEF) parameters for 4f ions in rare-earth orthoferrites, characterized by a low-symmetry local environment, is presented. Consistent sets of CEF parameters were obtained within the semi-empirical approach based on the point charge framework and experimental methods (X-ray diffraction, isothermal magnetization, inelastic neutron scattering). The ground-state multiplet splitting of the rare-earth ions was calculated from these parameters, revealing the microscopic mechanisms behind the magnetic properties of considered compounds. Optimal calculation algorithms using open-source software packages (PyCrystalField, CrysFieldExplorer) are discussed.