Simulation of nanostructures for sensor and circuit applications

Abstract

The simulation of nanostructures for sensor and circuit applications requires new concepts, namely electronic structure calculations based on the atomic configuration of the involved materials. We give a short overview of the available concepts. Semi-empirical methods and the density functional theory are highlighted. The concepts are illustrated by several examples. Presenting results obtained from metal nanowires, CNT-metal-contacts and strained CNTs, we demonstrate that electronic structure calculations based on quantum theory are essential for an adequate simulation of nanostructures.