First-principles calculations of band offsets of AlxGa1-xP-GaP(001) heterostructures
Chua, S.J. ; Zhang, X.H. ; Xu, S.J. ; Gu, X.
Zhang, X.H.
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Abstract
A first-principles pseudopotential method combined with the virtual-crystal approximation (VCA) is used to calculate band offsets of AlxGa1-xP-GaP(001) heterostructures. It was found that both the valence and conduction band offsets vary linearly with the alloy composition. Our results are in good agreement with the experimental data.
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Source Title
Journal of Physics Condensed Matter
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Date
1997-05-05
DOI
10.1088/0953-8984/9/18/005
Type
Article