Predicted Modifications in the Direct and Indirect Gaps of Tetrahedral Semiconductors
- 20 February 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 52 (8) , 675-678
- https://doi.org/10.1103/physrevlett.52.675
Abstract
The charge density of GaAs was studied at various points and for various bands by the augmented-spherical-wave method, using muffin-tin spheres at the Ga, the As, and, additionally, the interstitial sites. The lowest conduction-band points were found to be unique in having a high "charge" density in the interstitial spheres. It has therefore been predicted and verified that the points move up in energy relative to the point when closed-shell atoms (like He) are substituted at the interstitial sites. The calculations also indicate indirect-direct conversion for SiHe.
Keywords
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