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Original Articles

Theoretical investigation of the optical spectra and g factors for Cu2+ in dioptase

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Pages 1701-1704 | Received 27 May 2008, Accepted 10 Jun 2008, Published online: 28 Jul 2008
 

Abstract

The optical spectra of Cu2+ in dioptase are calculated using crystal-field theory. Good agreement between measured and calculated energy values is obtained under D 4h point-symmetry approximation. The electron paramagnetic resonance g factors, g // and g , are also investigated from high-order perturbation formulae. The local structure of Cu2+ in dioptase is obtained using these formulae. Theoretical results are in perfect agreement with experimental findings.

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