Atomistic Simulation of Quantum Transport in Nanoelectronic Devices: (With CD-ROM)

Computational nanoelectronics is an emerging multi-disciplinary field covering condensed matter physics, applied mathematics, computer science, and electronic engineering. In recent decades, a few state-of-the-art software packages have been developed to carry out first-principle atomistic device simulations. Nevertheless those packages are either black boxes (commercial codes) or accessible only to very limited users (private research codes). The purpose of this book is to open one of the commercial black boxes, and to demonstrate the complete procedure from theoretical derivation, to numerical implementation, all the way to device simulation. Meanwhile the affiliated source code constitutes an open platform for new researchers. This is the first book of its kind. We hope the book will make a modest contribution to the field of computational nanoelectronics.

Contents:

• Introduction
• The NECPA Theory
• The NECPA-LMTO Method
• NanoDsim: The Package Design
• NanoDsim: Bulk Systems
• NanoDsim: Two-Probe Systems
• NanoDsim: Optimization and Parallelization
• Kaleidoscope of the Physics in Disordered Systems
• Appendix

Readership: Post-graduate students or professional researchers who are interested in computational physics, device physics, quantum transport, disorder systems, and overlap of the above.
Key Features:

• Although there are publications in each sub-field of computational nanoelectronics, this is the first book to integrate different techniques into one
• The unique feature of the book is the affiliated source code, which not only provides a concrete example to understand the techniques but also constitutes an open platform
• The content of the book is based on the R&D experiences of the three authors with more than sixty years of experience in total. We wish to create a shortcut for new researchers by sharing those experiences and knowledge