Antibonding ground states in crystal phase quantum dots

Abstract

Atomistic approaches enable computational studies ofnanostructures with unusual properties. Here, the authors showthat the indium phosphate zinc-blende section embedded in a wurtzitenanowire, thus forming so-called crystal phase quantum dots, mayexhibit a rare antibonding hole ground state. The authors also findthat even a small lattice mismatch at the wurtzite/zinc-blendeinterface can profoundly mix the lowest hole states, resulting inunusual double-peak features in the excitonic optical spectra. Furtherresearch is, however, needed to determine strained band offsets inpolytype homostructures, allowing for better agreement betweenexperiment and theory.