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Materials Computation Center, University of Illinois

Materials Computation Center, University of Illinois Duane Johnson and Richard Martin, NSF DMR-0325939 New Monte Carlo Method for Interacting Electrons in Quantum Dot Devices R. M. Martin (Physics) and J.P. Leburton (ECE).

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Materials Computation Center, University of Illinois

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  1. Materials Computation Center, University of Illinois Duane Johnson and Richard Martin, NSF DMR-0325939New Monte Carlo Method for Interacting Electrons in Quantum Dot Devices R. M. Martin (Physics) and J.P. Leburton (ECE) ResearchObjectives:First-principles calculations of the charge and spin states in semiconductor quantum dots including all effects of material layers and patterned metal gates in real devices. Approach:Simulation of quantum many-body electron system in semiconductor quantum dots by quantum Monte Carlo (QMC)with all interactions and applied gate potentials simulated by classical Green Function Monte Carlo (GFMC). Code Development: Thez code is integrated with the MCC QMC tools package, which is freely available over the web. Significant Results:The first full calculations for interacting electrons in real device geometries for coupled quantum dots. The figures show the device structure, the confining potential calculated by GFMC, and the singlet-triplet energy difference calculated by QMC and GFMC as a function of gate voltage. Broader Impact: Controlled device design through science, and cross-disciplinary trained students for industry. Reliable integrated methods at the length/time scales for actual devices. Tools for design of new devices and systems. Actual device Top View Side view

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