Quantum transport theory and modeling for nanoelectronics devices

这项发现拨款申请是为了支持我在量子输运理论和纳米电子器件建模方面的研究计划。我们的目标是进一步发展第一性原理技术，从原子的角度定量分析现实纳米结构中的非线性和非平衡电荷/自旋量子输运，以便可以在不依赖唯象参数的情况下预测器件特性。 我们将进一步发展非平衡顶点修正理论，在非平衡密度矩阵水平上处理多重随机杂质散射，进一步发展非平衡电子-声子散射和非弹性隧穿光谱理论，研究瞬变输运机制的理论方面，研究量子输运中的强相互作用问题和自旋轨道物理。我们将把我们的理论发展成为非常强大的建模工具，从而实现现实纳米电子器件的量子输运特性。我们将研究纳米电子器件物理的许多重要问题，包括半导体纳米电子学、自旋电子学、瞬变电流、高频石墨烯晶体管、分子电子学、拓扑绝缘体、碳纳米结构、半导体器件的超大规模模拟以及电子关联效应。我们的工作将对纳米电子设备物理产生持续的影响。 我们的研究项目为HQP提供了良好的培训环境，因为它具有跨学科的性质，涉及量子物理、电子工程、化学和材料科学。要开发和使用的理论方法和建模工具都是最先进的。我们与麦吉尔和其他地方的实验实验室密切合作，将进一步丰富他们的培训。

This discovery grant application is to support my research program in quantum transport theory and modeling for nanoelectronic devices. The goal is to further develop first principles techniques to quantitatively analyze nonlinear and non-equilibrium charge/spin quantum transport in realistic nanostructures from atomic point of view such that predictions of device characteristics can be made without relying on phenomenological parameters. We will further develop the nonequilibrium vertex correction theory to handle multiple random impurity scattering at the nonequilibrium density matrix level, further develop the theory nonequilibrium electron-phonon scattering and inelastic tunneling spectroscopy, investigate theoretical aspects of the transient transport regime, study strongly interacting issues and spin-orbit physics in quantum transport. We will make our theoretical developments into very powerful modeling tools so that quantum transport properties of realistic nanoelectronic devices will be achieved. We will investigate many important problems of nanoelectronic device physics, including semiconductor nanoelectronics, spintronics, transient currents, high frequency graphene transistors, molecular electronics, topological insulators, carbon nanostructures, very large scale modeling of semiconductor devices, and electron correlation effects. Our work will provide continued impact to nanoelectronic device physics. Our research program provides an excellent training environment for HQP due to its interdiscipline nature, involving quantum physics, electronic engineering, chemistry and materials science. The theoretical methods and modeling tools to be developed and used are state-of-the-art. Their training will be further enriched by our close collaboration with experimental labs in McGill and elsewhere.