Electronic phase diagrams of carriers in self-assembled quantum dots: violation of Hund's rule and the Aufbau principle for holes.
We study the ground-state orbital and spin configurations of up to six electrons or holes loaded into self-assembled quantum dots. We use a general phase-diagram approach constructed from single-particle pseudopotential and many-particle configuration interaction methods. The predicted hole charging energies agree with recent charging experiments, but offer a different interpretation: we find that while the charging of electrons follows both Hund's rule and the Aufbau principle, the charging of holes follows a nontrivial charging pattern which violates both the Aufbau principle and Hund's rule.
He
Lixin
L
National Renewable Energy Laboratory, Golden, Colorado 80401, USA.
Bester
Gabriel
G
Zunger
Alex
A