Effect of chemical bond parmeters on hardness, isomer shift, and dielectric constant of rare earth ferroborates

Abstract

The ionicity, average band gaps, and bond polarization of the rare earth iron ferroborates were calculated using the chemical bond dielectric theory of complex structural crystals. The environment factor defined by electron polarizabilities and covalency was employed to calculate Mössbauer isomer shift of the rare earth iron ferroborates. The calculated isomer shifts of EuFe3(BO3)4 and GdFe3(BO3)4 are in agreement with their experimental values. The hardnesses of rare earth iron ferroborates were predicted using Gao's model, which are also in agreement with the experimental values.