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Calculated density of states (DOS) for the in crystal. Broken lines show bulk band edges. Arrows indicate mid-gap levels.
(a) Calculated mid-gap energy levels at the of the in the amorphous model for (solid squares), (open squares), and (circles). Bulk band edges are at the energy origin and shown by the solid line. The model index of is arranged in ascending order of its formation energy averaged over , i.e., Model-1 is energetically most stable. (b) Model-1 structure for (left) and (right). is placed at the center of the unit cell. An isodensity surface of electron density of the mid-gap level is plotted for .
Calculated density of states (DOS) for the in the amorphous model, (a) the most and (b) the second-most energetically stable . Broken lines show bulk band edges. Arrows indicate mid-gap levels.
Local atomic structures of (a) the most and (b) the second-most energetically stable in the amorphous model. distances are in angstroms. O-coordination numbers of Al are shown in parentheses.
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