Abstract
A tight-binding formalism for calculating the effects of lattice relaxation on deep levels due to substitutional impurities in semiconductors is presented. Molecular dynamics is used to calculate the lattice relaxation around an impurity, and its effects on the associated deep levels are computed using a Green s-function method. The results of applying this scheme to several impurities in GaP and Si are presented and compared with experiment.
| Original language | English |
|---|---|
| Pages (from-to) | 9947-9950 |
| Number of pages | 4 |
| Journal | Physical Review B |
| Volume | 43 |
| Issue number | 12 |
| DOIs | |
| State | Published - 1991 |