Multimillion-atom modeling of InAs/GaAs quantum dots: interplay of geometry, quantization, atomicity, strain, and linear and quadratic polarization fields

Abstract

Electronic structure and optical properties of self-assembled quantum dots strongly depend on an intricate interplay of the quantum mechanical size quantization and the atomistic built-in/internal electrostatic fields in the underlying material system. Specifically, built-in fields in zincblende quantum dots originate mainly from: (1) fundamental crystal atomicity and the interfaces between two dissimilar materials, (2) microscopic distribution of strain, and (3) the piezoelectric polarization. In this paper, we first study the origin and nature of these internal fields in InAs/GaAs quantum dots having three different geometries, namely, box, dome, and pyramid. We then quantify and delineate..