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Epitaxially-grown semiconductor heterostructures give the possibility totailor the potential landscape for the carriers in a very controlled way. Inplanar lattice-matched heterostructures, the potential has indeed a very simpleand easily predictable behavior: it is constant everywhere except at theinterfaces where there is a step (discontinuity) which only depends on thecomposition of the semiconductors in contact. In this paper, we show that thisuniversally accepted picture can be invalid in nanoscale heterostructures(e.g., quantum dots, rods, nanowires) which can be presently fabricated in alarge variety of forms. Self-consistent tight-binding calculations applied tosystems containing up to 75 000 atoms indeed demonstrate that the potential mayhave a more complex behavior in axial hetero-nanostructures: The band edges canshow significant variations far from the interfaces if the nanostructures arenot capped with a homogeneous shell. These results suggest new strategies toengineer the electronic properties of nanoscale objects, e.g. for sensors andphotovoltaics.

Assessment of the notions of band offsets, wells and barriers at nanoscale semiconductor heterojunctions