(a) Ordered model of symmetric ST-o; (b) asymmetric model of network former dislocation, ST-f; (c) asymmetric model of network modifier dislocation, ST-m; and (d) asymmetric model of network former and modifier dislocation, ST-fm.
XRD patterns of five samples of ST powder annealed at 673, 723, 773, 823, and for in an oxygen flow.
(a) Ti -edge XANES spectra at room temperature for the ST powder annealed at 673, 723, 773, 823, and . (b) Normalized intensity of the pre-edge peak at the same temperatures.
Spectral dependence of the absorbance of disordered ST annealed at 673, 723, , and of ordered ST powder annealed at for in an oxygen flow.
Calculated energy band structure for (a) ST-o, (b) ST-f, (c) ST-m, and (d) ST-fm. The zero of the energy scale was set at the Fermi energy of ST-o.
Total and atom-projected DOS for the (a) ST-o, (b) ST-f, (c) ST-m, and ST-fm models.
Thermal dependent changes in the EPR spectrum of ST annealed at 673, 723, 773, and .
Electron density maps of two horizontal planes of Ti–O: (a) ST-o model on the (0 0 0.25) (left) and (0 0 0.75) (right) planes; and (b) ST-f model, after displacement of the Ti atom, on the (0 0 0.25) (left) and (0 0 0.75) (right) planes. The ST-d model is used to speculate on the presence of the and hole .
(a) Room temperature PL spectra of ST powder samples annealed at 673, 723, 773, 823, and for in an oxygen flow. The exciting wavelength was the line of a krypton ion laser. (b) Deconvolution PickFit of the samples annealed at 673 and .
Wide band model. (a) Before excitation, where are donors and are acceptors; (b) excitation formation of STE; (c) after excitation recombination of and .
The fitting parameters of the five Gaussian peaks. of heat annealing; component of PL; component of PL; component of PL; component of PL; and component of PL.%
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