Intrinsic and external strains modulated electronic properties of GaN/InN core/shell nanowires

摘要

We investigate influence of the intrinsic and external uniaxial strains on the electronic properties of GaN/InN core/shell nanowires (CSNWs) with hexagonal and triangular shapes using the first-principle density functional theory. It is found that the band gap of the GaN core in CSNW differs from that of the pure GaN nanowire due to the intrinsic strain εi between GaN and InN layers. When the external uniaxial strain εe is applied on GaN/InN CSNWs, the direct band gap changes and the efficient creation and dissociation of excitons is improved.εi and εe substantially influence electronic and optical properties of CSNWs, which may benefit for the efficiency of GaN and InN based photovoltaic devices.