Multiple charging of InAs/GaAs quantum dots by electrons or holes: addition energies and ground-state configurations

TL;DR

This study compares atomistic pseudopotential and 2D-EMA methods for charging InAs/GaAs quantum dots, revealing significant differences in predicted electronic configurations and filling sequences, especially for holes.

Contribution

It introduces atomistic pseudopotential calculations for quantum dot charging, highlighting discrepancies with traditional 2D-EMA models and challenging established filling rules.

Findings

Significant differences in addition energies between methods.

Holes exhibit configurations that defy Hund's rule and the Aufbau principle.

Atomistic calculations provide more accurate descriptions of quantum dot charging.

Abstract

Atomistic pseudopotential plus configuration interaction calculations of the energy needed to charge dots by either electrons or holes are described, and contrasted with the widely used, but highly simplified two-dimensional parabolic effective mass approximation (2D-EMA). Substantial discrepancies are found, especially for holes, regarding the stable electronic configuration and filling sequence which defies both Hund's rule and the Aufbau principle.