Abstract
We present first-principles total-energy calculations that provide energetics, charge states and electronic structures for various bond configurations around N in SiO2 with and without hydrogen. It is found that the carrier traps are effectively removed near the energy gap upon coexistence of H and N. Effects of spin polarization around the defects are clarified.
| Original language | English |
|---|---|
| Pages (from-to) | 999-1002 |
| Number of pages | 4 |
| Journal | Physica B: Physics of Condensed Matter |
| Volume | 308-310 |
| DOIs | |
| State | Published - 2001.12 |
Keywords
- Carrier trap
- Density functional theory
- Nitridation
- SiO
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