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 |
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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
- Computer Science(all)
- Chemistry(all)
- Materials Science(all)
- Mechanics of Materials
- Physics and Astronomy(all)
- Computational Mathematics