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Defect level distributions and atomic relaxations induced by charge trapping in amorphous silica
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Image of FIG. 1.
FIG. 1.

Summary of defects investigated in the current work. The “≡” denotes three network Si – O bonds; “ = ” is adopted for two Si – O bonds; “” represents a single unpaired electron, or a Si dangling bond; “:” denotes paired electrons on a single sp 3 orbital; and “:” indicates unpaired on separate sp 3 orbitals.

Image of FIG. 2.
FIG. 2.

Various defect levels for different defect types in the instantaneous (a) and thermodynamic (b) trapping limits. For each defect type, the transitions are organized as no relaxation (N), the most common relaxation (C), and other (O). The computed distributions of levels (akin to a density of states) for electron and hole capture are shown on the right of each limit.

Image of FIG. 3.
FIG. 3.

Structure and relaxations associated with low-energy hole and electron traps. The III-Si in the neutral III-O/III-Si pair captures a hole and relaxes its average O-Si-O bond angle from an average of 103° (a) to 108° (b). A III-Si in the III-Si/V-Si pair traps an electron and moves from a planar sp 2 configuration (c) to a tetrahedral sp 3 (d). Trapping in this order provides a physical atomistic mechanism for the charge buildup observed in NBTI.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Defect level distributions and atomic relaxations induced by charge trapping in amorphous silica