Strong Linear-kValence-Band Mixing at Semiconductor Heterojunctions

Strong linear- k valence-band mixing at semiconductor heterojunctions.

This paper examines linear- k terms in the gamma(8) valence-band Hamiltonian for heterostructures of zinc-blende-type semiconductors. In bulk crystals such terms are known to be extremely small, due to their origin as relativistic perturbations from d and f orbitals. However, in heterostructures there is a nonvanishing contribution from p orbitals. This contribution is an order of magnitude lar...

Small valence-band offsets at GaN/InGaN heterojunctions

The band discontinuities between GaN and InN, as well as InGaN alloys, are key parameters for the design of nitride-based light emitters. Values reported to date are subject to large uncertainties due to strain effects at this highly mismatched interface. We have investigated the band lineups using first-principles calculations with explicit inclusion of strains and atomic relaxations at the in...

Band discontinuities at heterojunctions between crystalline and amorphous silicon

We present a theoretical investigation of the band lineups between crystalline and amorphous silicon, based on the first-principles pseudopotential method and the model-solid theory. We find that the offsets are very sensitive to the hydrogen content of the material; the valence-band offset for a junction with unhydrogenated a-Si is 20.25 eV, while for hydrogenated a-Si with a hydrogen content ...

Fabrication of metal-semiconductor nanowire heterojunctions.

4.5 SiGe heterojunctions and band offsets

When two semiconductors are joined at a heterojunction, discontinuities occur in the valence bands and in the conduction bands. For an atomically abrupt interface, these discontinuities are sharp on an atomic length scale (i.e. on the order of a few atomic distances). This is in contrast with band-bending effects, which are associated with depletion layers, and which occur on much larger length...