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Theoretical Studies of ESR Parameters and Local Lattice Structure of the Vanadate-Lithium-Borate Glasses

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Feng W., Zhao M., Li T., Zhang X., Xue J.

Acta Physica Polonica A

2012

vol. 122

issue 1

167-169

Electron spin resonance spectral parameters of V^{4+} ions in vanadate-lithium-borate glasses have been calculated by the crystal-field theory. The theoretical results are g_{∥ } = 1.940, g_{⊥} = 1.983 and A_{∥ } = -175×10^{-4} cm^{-1}, A_{⊥} = -65×10^{-4} cm^{-1} which are good agreement with the experimental values (g_{∥ } = 1.939(3), g_{⊥} = 1.998(3) and A_{∥ } = (170.6-176.4)×10^{-4} cm^{-1}, A_{⊥} = (61.3-71.4)×10^{-4} cm^{-1}). In addition, the bond lengths of the local lattice structure are, respectively, R_{∥ } = 1.5 Å and R_{⊥} = 1.95 Å which have been shown to have a compressed tetrahedral geometry along the C_4 axis.

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1 Acta Physica Polonica A

1 2012

1 Feng W.

1 Li T.

1 Xue J.

1 Zhang X.

1 Zhao M.

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Theoretical Studies of ESR Parameters and Local Lattice Structure of the Vanadate-Lithium-Borate Glasses