Spin-Hamiltonian Parameters of Gd3+ Ion in the Room Temperature Tetragonal Phase of BaTiO3

Abstract

Abstract The spin-Hamiltonian parameters (g factors g||, g⊥, and zero-field splittings b0 2 , b0 4 , b4 4 , b0 6 , b4 6 ) of the 4f7 Gd3+ ion in the tetragonal phase of a BaTiO3 crystal are calculated through the diagonalization (of energy matrix) method based on the one-electron crystal field mechanism. In the calculations, the crystal field parameters are estimated from the superposition model with the structural data of the studied crystal. It is found that by using three adjustable intrinsic parameters Āk(R0) (k=2, 4, 6) in the superposition model, the seven calculated spin-Hamiltonian parameters are in good agreement with the experimental values, suggesting that the diagonalization method based on one-electron crystal field mechanism is effective in the studies of spin-Hamiltonian parameters for 4f7 ions in crystals.