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Atomistic Tight-Binding Approaches to Quantum Transport

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7 Author(s)
Yann-Michel Niquet ; CEA, Inst. for Nanosci. & Cryogenics (INAC), Grenoble ; Aurelien Lherbier ; Martin P. Persson ; Francois Triozon
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We discuss atomistic approaches to quantum transport within the semi-empirical tight-binding framework. We show that the latter is well suited to the study of present nanostructures such as carbon nanotubes, semiconductor nanowires and graphene. It indeed provides a very good balance between accuracy and efficiency, and can be coupled with ab initio methods to upscale the calculations to the mesoscopic limit. We discuss the implementation of the quantum Kubo-Greenwood and Green functions approaches, and some applications to carbon nanotubes, graphene and semiconductor nanowires.

Published in:

Computational Electronics, 2009. IWCE '09. 13th International Workshop on

Date of Conference:

27-29 May 2009