Ab initio characterization of the electronic properties of PbTe quantum dots embedded in a CdTe matrix

摘要

The electronic properties of PbTe nanocrystals (NCs) embedded in a CdTe matrix are investigated using an ab initio pseudopotential method and a repeated supercell approximation. The asymmetric distribution of polar dot-matrix interfaces leads to the presence of an electrostatic field within the NC region. The consequences of this field on the electronic properties of the dot-matrix system are discussed in detail. The resulting spatial separation of electrons and holes inside the NC region gives rise to a quantum-confined Stark effect. It influences the photoluminesence of the NCs.