- Conference date: 11-14 Oct 1998
- Location: Denver, Colorado (USA)
Electron band structures have been calculated from first principles using the Full Potential Linearized Augmented Plane Wave (FLAPW) computational code (1), including nonlocal screened exchange (sX-LDA) and spin-orbit effects (2, 3) for representative elemental, binary III-V and II-VI semiconductors, and configurationally optimized Predicted band gaps for narrow gap semiconductors (Ge, InAs, and InSb) are all within 20% of experimental values, compared with errors of over 100% (negative band gaps) obtained with previous calculations based on the Local Density Approximation. Effects of conduction band dispersion on TPV device quantum efficiency are illustrated.
- III-V semiconductors
- Band structure
- Band gap
- II-VI semiconductors
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