Coulomb correlation effects in semiconductor quantum dots: The role of dimensionality

TL;DR

This paper investigates how the dimensionality of semiconductor quantum dots affects Coulomb interactions and the accuracy of theoretical models, emphasizing the importance of 3D modeling for realistic predictions.

Contribution

It demonstrates that 3D models provide more accurate descriptions of quantum dot spectra than 2D models, and validates the effectiveness of the single-site Hubbard approach.

Findings

2D models often overestimate carrier localization

3D models yield more accurate addition spectra

Single-site Hubbard Hamiltonian aligns well with experimental data

Abstract

We study the energy spectra of small three-dimensional (3D) and two-dimensional (2D) semiconductor quantum dots through different theoretical approaches (single-site Hubbard and Hartree-Fock hamiltonians); in the smallest dots we also compare with exact results. We find that purely 2D models often lead to an inadequate description of the Coulomb interaction existing in realistic structures, as a consequence of the overestimated carrier localization. We show that the dimensionality of the dots has a crucial impact on (i) the accuracy of the predicted addition spectra; (ii) the range of validity of approximate theoretical schemes. When applied to realistic 3D geometries, the latter are found to be much more accurate than in the corresponding 2D cases for a large class of quantum dots; the single-site Hubbard hamiltonian is shown to provide a very effective and accurate scheme to describe quantum dot spectra, leading to good agreement with experiments.