Abstract
We have extended the interface dipole theory on heterojunction band offsets and Schottky-barrier heights as formulated by Tersoff [Phys. Rev. Lett. 52, 465 (1984), Phys. Rev. B 30, 4874 (1984)] to the case of strain. Every particular strain state of a single semiconductor crystal is ascribed a definite charge neutrality level (CNL). This is done by calculating the deformation potential of the band edges relative to the CNL. Band offsets result upon aligning two CNL's. By aligning the CNL and the Fermi level of a metal, the barrier height at a Schottky contact to a strained semiconductor layer can be predicted. Examples treated are (100) heterojunctions with Si, Ge, GaAs, InAs, AlAs, and InP.
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