Abstract
We have generated a model of hydrogenated amorphous silicon by first-principles molecular dynamics. Our results are in good agreement with the available experimental data and provide new insight into the microscopic structure of this material. The calculation lends support to models in which monohydride complexes are prevalent, and indicates a strong tendency of hydrogen to form small clusters.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 5908-5911 |
| Number of pages | 4 |
| Journal | Physical Review B |
| Volume | 44 |
| Issue number | 11 |
| DOIs | |
| State | Published - 1991 |
| Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics