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

• Spectroscopic properties of di-, tri- and tetravalent free 3d ions are analyzed.
• Relations between the Racah parameters, spin–orbit constant and atomic number are found.
• Variations of these parameters in several crystals are considered.

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 (Y3Al5O12 and GaAs) was also considered; different degree of the nephelauxetic effect for the B and C parameters in Y3Al5O12 was uncovered. Using the literature data on the crystal field parameters for trivalent 3d ions in Y3Al5O12 and GaAs, the values of the crystal field parameters for Gd3Ga5O12, AlAs and InAs were estimated.

Linear relationships between the Racah parameters B, C and ζ1/4 for the di-, tri- and tetravalent 3d ions.Figure optionsDownload high-quality image (105 K)Download as PowerPoint slide