Supercell representation of the cubic BZO structure: (a) ordered BZO- model and (b) disordered BZO- model.
UV-vis absorbance spectra of BZO powders annealed at (a) 400, (b) 450, (d) 500, and (d) for under oxygen atmosphere.
Band structure of (a) BZO- and (b) BZO- models.
Total and atom-projected density of states for the (a) BZO- and BZO- models.
-band EPR measurements at room temperature for BZO powders after annealed at (a) 400, (b) 450, (c) 500, and (d) for under oxygen atmosphere.
Contour and surface plots of the electronic density of charge calculated in the (110) plane for (a) BZO-c model and (b) BZO- model. The arrows indicate the differences observed in surface plots.
PL emission spectra of BZO powders annealed at (a) 400, (b) 450, (c) 500, and (d) for under oxygen atmosphere. The inset shows correlation of EPR spectra and BZO- and BZO- models with PL behavior.
Experimental gap energies in axis- and theoretical gap energies in the  direction of BZO powders.
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