Interpretation of the crystal field parameters by the angular overlap model - application to some fn electron systems

Abstract In this paper, we interpret crystal field parameters in the angular overlap model of Jorgensen, involving σ and π effects. We have studied some trivalent rare earth ions in several compounds: KY 3 F 10 , the aluminates LnAlO 3 , LaCl 3 and Ln(OH) 3 . In all cases σ effects are dominant; e σ values decrease as the atomic number of the rare earth ion increases. For the rare earth fluorine bonding the obtained values for e π are the greatest. It may also be noted that e σ and e π parameters are connected with the B 6 m crystal field parameters. Finally, we have shown for several compounds, the existence of a power law especially for σ effects.