Effect of post-growth annealing on the optical properties of InAs/GaAs quantum dots: A tight-binding study

TL;DR

This study uses atomistic modeling to investigate how post-growth annealing-induced interdiffusion affects the strain, electronic, and optical properties of InAs/GaAs quantum dots, highlighting the importance of chemical and strain effects.

Contribution

It provides a detailed atomistic analysis of chemical disorder effects on quantum dot properties using tight-binding and strain models, which is novel.

Findings

Interdiffusion significantly alters electronic and optical properties.

Strain relief and chemical effects are comparably impactful.

Results align with recent experimental luminescence data.

Abstract

We present an atomistic study of the strain field, the one-particle electronic spectrum and the oscillator strength of the fundamental optical transition in chemically disordered In$_{x}$Ga$_{1-x}$As pyramidal quantum dots (QDs). Interdiffusion across the interfaces of an originally ``pure'' InAs dot buried in a GaAs matrix is simulated through a simple model, leading to atomic configurations where the abrupt hetero-interfaces are replaced by a spatially inhomogeneous composition profile $x$. Structural relaxation and the strain field calculations are performed through the Keating valence force field (VFF) model, while the electronic and optical properties are determined within the empirical tight-binding (ETB) approach. We analyze the relative impact of two different aspects of the chemical disorder, namely: (i) the effect of the strain relief inside the QD, and (ii) the purely chemical effect due to the group-III atomic species interdiffusion. We find that these effects may be quantitatively comparable, significantly affecting the electronic and optical properties of the dot. Our results are discussed in comparison with recent luminescence studies of intermixed QDs.