This work combines an atomistic electronic structure simulation with many-electron transport method to investigate the current-voltage (IV) characteristics of Double Quantum Dot (DQD) system in the spin-blockade regime . This work is the combination of a two-fold effort: a) A NEMO 3-D  based, atomistic simulation of the geometry of the experimental setup (fig. 1a) to obtain its single electron eigen states, followed by the b) evaluation of I-V characteristics based on the many-electron spectrum of the DQD system, derived from this one-particle set. The many-electron spectrum of this structure is evaluated using a novel subspace reduction technique within the exact-diagonalization scheme. The calculated I-V characteristics from the many-electron spectrum closely resemble the experimental trends (fig. 2). The many-body transport scheme developed here is general and can be easily extended to QD systems with multiple levels, while maintaining similar computational complexity.
Available at: http://works.bepress.com/gerhard_klimeck/178/