A. Franceschetti et A. Zunger, Hund's rule, spin blockade, and the Aufbau principle in strongly confined semiconductor quantum dots, EUROPH LETT, 50(2), 2000, pp. 243-249
The ground-state configuration of a system of N electrons or holes (N = 1 .
.. 8) in strongly confined InAs, InP, and Si quantum dots (diameter similar
to 30 Angstrom) is calculated using pseudopotential single-particle energi
es and wave functions as input to the many-body expansion of the total ener
gy. The validity of generally accepted "rules of level occupation" (Hund's
rule, Aufbau principle, and single spin-flip rule) is examined. We find tha
t while Hund's rule is generally obeyed, deviations from the Aufbau princip
le are common when single-particle energy levels are separated by a few meV
. We also find a few instances where the single spin-flip rule is violated,
leading to "spin blockade" in linear conductance.