Estudos dos momentos magneticos em solidos por ressonancia paramagnetica eletronica

AUTOR(ES)
DATA DE PUBLICAÇÃO

2000

RESUMO

Electron Paramagnetic Resonance (EPR) of magnetic impurities (3d e 4f) in single crystals and powdered samples is a subject of importance in the study of magnetic impurities in solids. The study and analysis of the EPR spectra is the main subject of this work. We developed computational algoritms to simulate and fit EPR spectra, using a suitable Spin Hamiltonian for each compound in study. In the course of this project, we applied those programs to several systems, but here we limite ourselves to present the results obtained for three of those compounds, as follows: - CaB6: Gd3+ - which is a small gap semiconductor. Here, we fitted the angular variation of the seven allowed transitions for Gd3+ ½S = 7/2;Ms) and we got the experimental parameters for the crystal field effect. - Co2+ in NH4NiPO4.6H2O - this is a hydrated phosphate with interesting physical-chemical properties. The powder spectra of this compound was studied, and the fine and hyperfine lines were simulated, and the data adjusted with very high precision. - Li3Fe2(PO4)3-x(AsO4)x - is a superionic conductor. We fitted the powder spectra in this case, for temperatures between 35 and 297 K, and we obtained the temperature dependence ofthe g-factor and the linewidths, and line intensities. In the EPR spectra simulations and fittings, we use a Spin Hamiltonian with Zeeman interaction, hyperfine field interaction and crystal field operators, responsible for the spectrum fine structure: H=µBH.g.S+I.A.S+ åkåkq=-kBqkOqk The simulated and fitted spectra were obtained using perturbation theory up to second order for determination of the Spin Hamiltonian energy levels. The line intensities were obtained calculating the transition probabilities between these energy levels, and we also considered anisotropic line widths. We also present the graphic subroutine developed, which work together with the simulation and fitting programs, showing the results: the experimental spectrum and the simulated or fitted spectrum

ASSUNTO(S)

cristais - propriedades magneticas ajuste de curva simulação (computadores)

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