Abstract
We have constructed a structural model of amorphous gallium arsenide by quenching from the melt, via first-principles molecular-dynamics simulations. The properties of our structure agree well with the available experimental information. We find that the predominant defects in this system are not wrong bonds, but threefold-coordinated atoms. Because of a relaxation mechanism similar to that occurring on the GaAs(110) surface, these do not yield states in the gap, but yield empty Ga and filled As dangling-bond states near the band edges.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 13378-13382 |
| Number of pages | 5 |
| Journal | Physical Review B |
| Volume | 45 |
| Issue number | 23 |
| DOIs | |
| State | Published - 1992 |
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics