On the Design of Low Dimensional Devices Using Atomistic Computational Approaches

Summary form only given. Nanoscale electronic devices are considered as a new frontier beyond conventional microelectronics. In this article, the author shows how it is possible to couple large-scale quantum electronic structure calculations with non-equilibrium Green function formulation to design new paradigms for nano devices. In particular, the author presents recent findings on a nano-switch based on the encapsulation of a donor/acceptor molecule within a carbon nanotube. The switching behavior is analyzed in detail and a novel model for nanoscale non-volatile memory element is presented.