Abstract
The empirical pseudopotential method, with the average bond energy as the energy reference, is applied for the first time in the calculation of band offsets in semiconductor heterostructures. The calculations are carried out for three heterostructures: GaAs/Ge, AlAs/GaAs and AlAs/Ge. A picture of the band structures and their alignments, including conduction bands and valence bands, is given. The calculated valence band offsets are 0.57 eV for GaAs/Ge, 0.50 eV for AlAs/GaAs, and 1.07 eV for AlAs/Ge, in excellent agreement with experimental data.
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Schedule a callMore From: Journal of physics. Condensed matter : an Institute of Physics journal
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