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Materials Computation Center, University of Illinois Duane Johnson and Richard Martin, NSF DMR-03-25939 New Monte Carlo Method for Interacting Electrons in Quantum Dot Devices R. M. Martin (Physics) and J.P. Leburton (ECE) Research Objectives: 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). Actual device Top View Side view 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. MCC website: http://www.mcc.uiuc.edu ©Board of Trustees University of Illinois