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Photo-EPR measurements carried out on Nd3+ -doped polyvinyl alcohol (PVA) films have shown that nearly 100% reduction occurs in the intensity of EPR of Nd3+ under in situ copper vapor laser (CVL) illumination (510.5 nm and 578.2 nm). The kinetics of decay and recovery were investigated. Photoacoustic (PA) spectra, observed under CVL pump condition had shown that the CVL induced changes were not due...
The EPR parameters, anisotropic g-factors gx, gy and gz for cu2+ ion and hyperfine structure constants Ax, Ay and Az for Cu2+ in LiNbO3 crystal are calculated by the method of diagonalizing the full Hamiltonian matrix. The crystal-field parameters contact with the crystal structure by the aid of the superposition model. The optical transition parameters are calculated using Zhao...
The electron paramagnetic resonance parameters, zero-field splittings (ZFSs) b 20 , b 40 , b 44 , b 60 , b 64 and the g factors for Gd3+ on the tetragonal Y3+ site in KY3F10 are theoretically studied from the superposition model for the ZFSs and the approximation formula for the g factor containing the admixture of the ground 8S7/2 and the excited 6L7/2 (L=P, D, F, G) states via the spin-orbit...
By calculating the optical spectrum band positions and EPR parameters (g factors, g‖, g⊥ and zero-field splitting D) by diagonalizing the complete energy matrix of 3d8 ions in trigonal symmetry, the defect structure of Ni2+ centre in α-LiIO3 crystal is studied. It is found that to reach the good fits of optical and EPR data between calculation and experiment, the Ni2+ ion should shift by Δz ≈ 0.298...
The EPR parameters (g factors g‖, g⊥ and zero-field splitting D) of Mn4+ ion in h-BaTiO3 crystal are calculated from the complete high-order perturbation formulas based on a two-mechanism model for the EPR parameters of 3d3 ions in trigonal symmetry. In the model, not only the widely used crystal-field mechanism, but also the charge-transfer mechanism (which is not considered in crystal-field theory)...
The g factors and the ligand superhyperfine parameters A′ and B′ for Ni3+ in KMgF3, CsCaF3 and RbCaF3 are theoretically studied from the formulas of these parameters for a 3d7 ion under octahedral environments in the weak field scheme. The unpaired spin densities for the fluorine 2s, 2pσ and 2pπ orbitals are quantitatively determined from the molecular orbital and configuration interaction coefficients...
The electron paramagnetic resonance (EPR) parameters (the g factors, hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir2+ centre in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 5d7 ion in tetragonally elongated octahedra. This impurity centre is attributed to the substitutional [IrCl6]4− cluster on host Na+ site, associated...
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