Interpretation of the Optical and Magnetic Behaviours of Pr₂Mg₃(NO₃)₁₂·24H₂O

Abstract

The crystal field energy levels, the magnetic susceptibilities and the g-values of Pr₂Mg₃(NO₃)₁₂·24H₂O were calculated theoretically by means of diagonalisation of the matrix of spin-orbit (SO), electrostatic (ES) and the crystal field (CF) interaction considered together, the matrix being constructed in a basis of all states of Pr³⁺ in the 4f² configuration. A C_3v site has been assumed. The crystal field levels that were obtained from the aforesaid diagonalisation were used to calculate the g-values and principal magnetic susceptibilities. The set of parameters giving the good fit to the three experiments (optical, EPR and susceptibility), has been evaluated.