Systematic analysis of the spectroscopic characteristics of 3d ions in a free state and some cubic crystals

Abstract Systematic consideration of the spectroscopic properties of the di-, tri- and tetravalent 3d ions in a free state is presented. Variations of the Racah parameters B , C , spin–orbit interaction constant ζ and averaged values of the 3d electrons’ radial coordinate across the selected groups of 3d ions were considered; functional dependencies between the above-mentioned parameters were obtained. It was shown that the knowledge of one out of three parameters ( B , C , ζ ) allows to estimate the remaining two. Systematic behavior of the trivalent 3d ions in some cubic crystals (Y 3 Al 5 O 12 and GaAs) was also considered; different degree of the nephelauxetic effect for the B and C parameters in Y 3 Al 5 O 12 was uncovered. Using the literature data on the crystal field parameters for trivalent 3d ions in Y 3 Al 5 O 12 and GaAs, the values of the crystal field parameters for Gd 3 Ga 5 O 12 , AlAs and InAs were estimated.