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Experimental and theoretical investigations on low temperature EPR of Cu2+ centers in TiO2 rutile single crystal

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Abstract We present the results of low-temperature (7–13 K) EPR investigation on Cu 2+ doped rutile TiO 2 with ion implantation. Spin Hamiltonian containing electronic Zeeman and hyperfine terms was used… Click to show full abstract

Abstract We present the results of low-temperature (7–13 K) EPR investigation on Cu 2+ doped rutile TiO 2 with ion implantation. Spin Hamiltonian containing electronic Zeeman and hyperfine terms was used to analyze experimental data since Cu 2+ ions have ½ effective spin and their nuclear spin 3/2. The spectra show that there are two equivalent paramagnetic Cu 2+ centers and they substitute for Ti 4+ ion sites in the TiO 2 rutile lattice. Exact diagonalization of spin Hamiltonian is used to analyze EPR spectra, and the small misalignment of sample from the exact crystallographic planes is taken into account. The g tensor values are found as g x  = 2.1143, g y  = 2.0907, g z  = 2.3394 and principal values of hyperfine tensor for 63 Cu 2+ are A x  = 30.6, A y  = 34.7, A z  = −93.2 and for 65 Cu 2+ A x  = 33.5, A y  = 36.7, A z  = −99.0 (in 10 −4 /cm).

Keywords: temperature epr; low temperature; theoretical investigations; experimental theoretical

Journal Title: Journal of Alloys and Compounds
Year Published: 2017

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