Title :
Atomistic Tight-Binding Approaches to Quantum Transport
Author :
Niquet, Yann-Michel ; Lherbier, Aurlien ; Persson, Martin P. ; Triozon, François ; Roche, Stephan ; Blase, Xavier ; Rideau, Denis
Author_Institution :
CEA, Inst. for Nanosci. & Cryogenics (INAC), Grenoble
Abstract :
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.
Keywords :
Green´s function methods; ab initio calculations; band structure; carbon nanotubes; elemental semiconductors; energy gap; graphene; nanowires; semiconductor quantum wires; silicon; tight-binding calculations; C; Green functions approach; Si; ab initio methods; atomistic tight-binding approach; band gap; band structure; carbon nanotubes; graphene; nanostructured materials; quantum Kubo-Greenwood approach; quantum transport; semiconductor nanowires; Carbon nanotubes; Cryogenics; Green function; Linear discriminant analysis; Nanoelectronics; Nanostructured materials; Nanowires; Photonic band gap; Semiconductor nanostructures; Silicon;
Conference_Titel :
Computational Electronics, 2009. IWCE '09. 13th International Workshop on
Conference_Location :
Beijing
Print_ISBN :
978-1-4244-3925-6
Electronic_ISBN :
978-1-4244-3927-0
DOI :
10.1109/IWCE.2009.5091086