Negative band gap bowing in epitaxial InAs/GaAs alloys and predicted band offsets of the strained binaries and alloys on various substrates

Kim, Kwiseon; Hart, Gus L. W.; Zunger, Alex
April 2002
Applied Physics Letters;4/29/2002, Vol. 80 Issue 17, p3105
Academic Journal
We use pseudopotential theory to provide (1) the band offsets of strained GaAs and InAs on various substrates and (2) the energies E[sub v](x) and E[sub c](x) of the valence and conduction bands of In[sub x]Ga[sub 1-x]As alloy, as a function of composition. Results are presented for both the bulk alloy and for the alloy strained on InP or GaAs. We predict that while E[sub c](x) bows downward for relaxed bulk alloys, it bows upward for strained epitaxial alloys. The calculated alloy offsets are used to discuss electron and hole localization in this system. © 2002 American Institute of Physics.


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