Total and partial DOSs for γ-Al2O3. Total DOSs for γ-Al2O3 by (a) mBJ and (b) GGA. Total partial p-DOSs within mBJ by adding all the p-DOSs of the nonequivalent (c) O atoms and (d) Al atoms, in the supercell shown in Figure 1b. Partial p-DOSs for those of O atoms which are (e) far from and (f) close to the vacancy. Fermi level is set to zero.
Yazdanmehr et al. Nanoscale Research Letters 2012 7:488 doi:10.1186/1556-276X-7-488