QUASIPARTICLE CALCULATION OF VALENCE BAND OFFSET OF AIAs - GaAs ( 001 )
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چکیده
A first principles quasiparticle theory for band offsets of heterojunctious is developed and used to compute the vaJence band offset AE. for the prototypical AIAs-GIAs(001) interface. The result AE . = 0.53-1-0.05 eV is in good qreement with recent experimental values and in particular with the m ~ t recent photolumine~ence dst~ AE. ffi 0.56 ± 0.03 eV for an MBE grown sample. We show that there is a subetantild many-body correction of 0.12 eV to the value of the valence band offset calculated using local density functional theory.
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تاریخ انتشار 1988