Quantum transport theory and modeling for nanoelectronics devices

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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.