Abstract
The empirical pseudopotential method coupled with the virtual crystal approximation is used to compute the electronic conduction band-edge charge densities at the Γ and X points for the ternary alloy CdxZn1-xS. We find that these charge densities are strongly dependent upon the stochiometric coefficient x. Such differences are crucial for a comprehensive understanding of interstitial impurities and the response of specific band states to perturbation in ternary alloy semiconductors.
| Original language | English |
|---|---|
| Pages (from-to) | 213-220 |
| Number of pages | 8 |
| Journal | Computational Materials Science |
| Volume | 2 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - Mar 1994 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Computer Science
- General Chemistry
- General Materials Science
- Mechanics of Materials
- General Physics and Astronomy
- Computational Mathematics