Quantum Transport Calculations for Nanosystems

As electric devices become smaller and smaller, transport simulations based on the quantum mechanics become more and more important. There are currently numerous textbooks on the basic concepts of quantum transport, but few present calculation methods in detail.

This book provides various quantum transport simulation methods and shows applications for transport properties of nanometer-scale systems. It starts with a short review of quantum transport, followed by various calculation methods based on scattering approaches, non-equilibrium Green?s function (NEGF), master equation, and time-dependent wave-packet diffusion (TD-WPD). With these tools, transport properties of various nanosystems are then explored.

Introduction. Landauer Formula and Kubo Formula. Nonequilibrium Green’s Function Formula. Calculation Methods (RTM method, Lippmann–Schwinger equation method, numerical atomic orbital basis method, density matrix master equation method). Toward Larger Nanosystems (TD-WPD method). Applications (STM systems, atomic and molecular wires, nano-carbon systems). Artificial Nanosystems (quantum dots, quantum point contacts). Advanced Topics and Future Challenges.

Kenji Hirose received his PhD from the Department of Physics, University of Tokyo, in 1994 and joined the Fundamental Research Laboratories of NEC Corporation. From 1996 to 1998, he was a researcher of NEC Research Institute in Princeton, USA. Currently, he is a principal researcher of Nano Electronics Research Laboratories of NEC Corporation. He has studied the transport calculations of nanosystems, such as atom manipulations, molecular systems, carbon nanotubes, quantum dots, and quantum point contacts.

Nobuhiko Kobayashi received his PhD from the Department of Physics, University of Tokyo in 1998. He worked at RIKEN from 1998 to 2001 as a special postdoctoral researcher and then worked at AIST in Tsukuba from 2001 to 2006 as a research scientist. From 2006, he has been an associate professor of Institute of Applied Physics, University of Tsukuba, Japan. His main research fields are the transport calculations of nanosystems, such as STM systems, atomic wires, molecules, and nano-carbon systems.