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Part B:Condensed Matter Physics

Experimental and theoretical investigations on the EPR parameters and molecular orbital bonding coefficients of VO2+ ions in BTTB glasses

ORCID Icon, , , &
Pages 1625-1640 | Received 29 Dec 2016, Accepted 02 Mar 2018, Published online: 20 Mar 2018
 

Abstract

The effect of the spin probe VO2+ in 15BaO–15TeO2–10TiO2-(60-x) B2O3xV2O5 (x = 0.2, 0.4, 0.6, 0.8 mol %) glasses has been studied by employing Electron Paramagnetic Resonance (EPR) and optical absorption spectroscopic techniques. The observed EPR spectra of VO2+ ions were attributed on the basis of well-known spin-Hamiltonian of C4V symmetry. The simulated EPR spectra for VO2+ ions in the present glass system were drawn using Easy spin software. Both the experimental and simulated spectra were found to be in good agreement with each other. The optical absorption spectra exhibited three d–d transition bands due to crystal and tetragonal fields of VO2+ ions. These bands were assigned to 2B2g2Eg, 2B2g2B1g and 2B2g2A1g transitions. The crystal field parameters Dq, Ds and Dt values are calculated. From the EPR and optical data, the molecular bonding coefficients were evaluated. Employing the higher order perturbation formulae of the g factors for 3d1 ion under tetragonally compressed octahedral fields, theoretical studies were carried out. The spin-Hamiltonian parameters and obtained from both the experimental and theoretical methods were in good agreement with each other.

Acknowledgements

The authors would like to thank The Head, Department of Physics, Osmania University for providing the laboratory facilities. One of the author, B. Srinivas would like to thank the UGC, New Delhi, for providing financial assistance (BSR-RFSMS).

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