Overview
ABSTRACT
This article provides an overview of the theoretical modeling and simulation of quantum transport phenomena in nanoscience. This approach is conducted via certain key concepts of quantum mechanics that govern the behavior of electrons in low-dimensional systems and provide the characteristics of ultimate microelectronics devices. After having presented general notions on the electronic structure of materials, this article focuses on the different levels of modeling of electron transport and their scope of validity. The theory of quantum transport is approached intuitively through to the notion of wave packet propagation and then implemented in the simulation of nanotransistors . This contribution aims at highlighting the progress of quantum simulation , which now allow for truly comparative studies with experiments and guide technological choices for the development of nanoelectronics.
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INTRODUCTION
As transistors shrink in size and new nanomaterials emerge for use as electronic devices, quantum effects are becoming increasingly important in electrical conduction properties. Simulating these effects requires a multi-scale approach combining a precise description of the electronic structure of materials with quantum modeling of transport processes. This is a major challenge for the understanding and use of nanomaterials.
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