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

该职业奖支持半导体纳米结构的电子和光学性质的理论和计算研究。PI将开发基于费曼路径积分的新模拟技术，并将其应用于纳米结构。这项研究是对涉及解包含量子力学效应的薛定谔方程的方法的补充。模拟技术将应用于半导体结构的详细模型，以直接进行比较，并以自组装量子点为主要重点进行实验。点内和周围的化学和应变环境可以强烈地局部化载流子(电子和空穴)，使点具有有趣的传输和发光特性。路径积分模拟将能够准确和有效地计算激发点的光谱和辐射寿命，并有助于阐明相互作用点系统的性质。量子点可能是未来纳米电子学的基石，它们的性质可能对激光、探测器、数据存储、计算和量子算法有用。路径积分算法将有一个支持框架，允许使用来自种植者和显微镜工作者的信息来快速生成对光学或传输特性的详细预测。这种实验和理论的相互作用对于理解半导体纳米结构和开发新技术是必不可少的。这项研究依赖于快速数值计算的算法，并部分基于早期对液氦和其他量子系统的模拟。算法方面的进步将作为开源软件和交互式Java小程序与物理界共享。教育部分涉及将小应用程序与其他网络技术结合起来，以开发教程和其他材料，以改进量子统计力学的教育。可能的教程包括氦的玻色凝聚，原子气体陷阱中的凝聚，以及本提案研究重点中研究的量子点系统。%该职业奖支持使用费曼路径积分技术对半导体纳米结构进行理论和计算研究。路径积分是量子力学和统计力学的一种有趣而直观的方法，但它们的数学表达式只能对最简单的问题进行解析计算。这项研究将开发光学和输运性质的快速数值计算算法，并在一定程度上基于早期对液氦和其他量子力学系统的模拟。这项提案的教育部分涉及开发和纳入基于网络的工具，以开发教程，以改进量子统计力学的教育。可能的教程包括氦的玻色凝聚，原子气体陷阱中的凝聚体，以及本提案研究重点中研究的量子点系统。

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.***