Abstract
An orthorhombic Mn 2+ centre was observed with x-band ESR at room temperature in Ca 1 − x Ba x F 2:Mn crystals. A least-squares fit of the angular dependence of the ESR fields to an orthorhombic spin Hamiltonian gave values of g = 2.001, B 2 0 = −20.59, B 2 2 = −63.10, B 4 0 = −0.016, B 4 4 = −0.016, B 4 4 = 0.028 and A = −102.7 (Gauss). The observed ESR centre is a typical cubic Mn 2+ centre perturbed by a divalent barium ion replaced at the nearest neighbour divalent cation site to the Mn 2+ ion along the [100] direction. The theoretical spin Hamitonian parameters of B 2 0 and B 2 2 were estimated to be B 2 0 = −12.58 and B 2 2 = −45.34 (Gauss) with a polarizable point ion (PPI) model. By using lattice sites of eight displaced fluorine ions around the Mn 2+ ion and R 0 = 2.3085 A ̊ calculated with the PPI model, the superposition (SP) parameters were determined to be t = 5.1 and B ̄ 2 (R 0) = −77.32 (Gauss).
Published Version
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