Investigations of defect structures and g factors for octahedral (CrO6)7− and (VO6)8− clusters in rutile-type crystals

Abstract

The electron paramagnetic resonance (EPR) [Formula: see text] factor formulas for Cr[Formula: see text] and V[Formula: see text] ions in Al2O3, TiO2 and VO2 crystals are deduced from Jahn–Teller effect and contributions of the charge transfer (CT) levels. The tetragonal distortions. [Formula: see text] and −0.0124 nm, and [Formula: see text], [Formula: see text] and 0[Formula: see text], for Al2O3:Cr[Formula: see text], TiO2:V[Formula: see text] and VO2, respectively. The calculations of the [Formula: see text] factors agree well with the experimental values. The contributions of the CT levels to [Formula: see text] factors increase with the increasing valence state. It must be taken into account in the precise calculations of [Formula: see text] factors for the high valence state [Formula: see text] ions in crystals.