Abstract
Bond configurations around N in SiO2 were explored using a first-principles total-energy method. The energetics, charge states, and electronic structures for the total-energy optimized atomic configurations were mapped out. Results indicate that the coexistence of N and H is crucial for better electrical properties of Si oxynitrides.
| Original language | English |
|---|---|
| Pages (from-to) | 3574-3577 |
| Number of pages | 4 |
| Journal | Physical Review Letters |
| Volume | 86 |
| Issue number | 16 |
| DOIs | |
| State | Published - 2001.04.16 |
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