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Electronic band structure calculations for biaxially strained Si, Ge, and III–V semiconductors

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2 Author(s)
Jiseok Kim ; Department of Electrical and Computer Engineering, University of Massachusetts, Amherst, Massachusetts 01003, USA ; Fischetti, M.V.

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Electronic band structure and effective masses for relaxed and biaxially strained Si, Ge, III–V compound semiconductors (GaAs, GaSb, InAs, InSb, InP) and their alloys (InxGa1-xAs, InxGa1-xSb) on different interface orientations, (001), (110), and (111), are calculated using nonlocal empirical pseudopotential with spin-orbit interaction. Local and nonlocal pseudopotential parameters are obtained by fitting transport-relevant quantities, such as band gap and deformation potentials, to available experimental data. A cubic-spline interpolation is used to extend local form factors to arbitrary q and to obtain correct workfunctions. The nonlocal and spin-orbit terms are linearly interpolated between anions and cations for III–V semiconductors. The virtual crystal approximation is employed for the InxGa1-xAs and InxGa1-xSb alloys and deformation potentials are determined using linear deformation-potential theory. Band gap bowing parameters are extracted using least-square fitting for relaxed alloys and for strained InxGa1-xAs on (001), (110), and (111) InP. The dependence on biaxial strain of the electron and hole effective masses at the symmetry points Γ, X, and L exhibits a continuous variation at Γ and L but sudden changes appear at Δ minima caused by the flatness of the dispersion along the Δ line near the minimum.

Published in:

Journal of Applied Physics  (Volume:108 ,  Issue: 1 )

Date of Publication:

Jul 2010

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