CAREER: Path Integral Simulations of the Electronic, Optical, and Magnetic Properties of Semiconductor Nanostructures

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This CAREER award supports theoretical and computational research on the electronic and optical properties of semiconductor nanostructures. The PI will develop new simulation techniques based on Feynman path integrals and apply them to nanostructures. The research is complementary to approaches that involve the solution of Schrodinger's equation to include quantum mechanical effects. Simulation techniques will be applied to detailed models of semiconductor structures for direct comparison to experiment with a primary focus on self-assembled quantum dots. Chemical and strain environments in and around the dots can strongly localize charge carriers (electrons and holes), giving the dots interesting transport and luminescence properties. Path integral simulations will enable accurate and efficient calculation of spectra and radiative lifetimes of excited dots, and will help elucidate the properties of systems of interacting dots. Quantum dots may be building blocks of future nanoelectronics, and their properties may be useful for lasers, detectors, data storage, computing, and quantum algorithms. The path integral algorithms will have a supporting framework that allows information from growers and microscopists to be used to quickly generate detailed predictions of optical or transport properties. This interplay of experiment and theory is essential to understand semiconductor nanostructures and develop new technologies. This research relies on algorithms for fast numerical evaluation, and is based in part on earlier simulations of liquid Helium and other quantum systems. Algorithmic advances will be shared with the physics community as open source software and interactive Java applets. The education component involves incorporating the applets together with other web technologies to develop tutorials and other materials to improve education in quantum statistical mechanics. Possible tutorials include Bose condensation of helium, condensates in atomic gas traps, and the quantum dot systems studied in the research thrust of this proposal.%%%This CAREER award supports theoretical and computational research on semiconductor nanostructures using Feynman-path-integral techniques. Path integrals are an intriguing and intuitive approach to quantum and statistical mechanics, but their mathematical expressions can only be evaluated analytically for the simplest problems. This research will develop algorithms for fast numerical calculation of optical and transport properties, and is based in part on earlier simulations of liquid helium and other quantum mechanical systems. The education component of this proposal involves developing and incorporating web-based tools to develop tutorials to improve education in quantum statistical mechanics. Possible tutorials include Bose condensation of helium, condensates in atomic gas traps, and the quantum dot systems studied in the research thrust of this proposal.***