Abstract
We have calculated the electronic band structures for GaAsxP1-x alloy system using the empirical nonlocal pseudopotential method. The nonlocality of the potential is described by the Gaussian model. We find that the energy gap varies sublinearly with x, with the direct-indirect transition occuring at x = 0.58. The dependence on hydrostatic pressure of the direct and indirect energy band gaps of GaAs have been calculated with the pseudopotential method. The optimized nonlocal pseudopotential reproduce the energy gap dependence with pressure within a small deviation compared to the experimental values.
Original language | English |
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Pages (from-to) | 287-292 |
Number of pages | 6 |
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