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Read the articleAUTHORS
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François TRIOZON
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Stephan ROCHE
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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Quantum transport simulation
Introduction
Bibliography
Software tools
SIESTA: ab initio DFT code using localized atomic orbital bases
TB_sim: "strong bond" code developed at CEA Grenoble. It calculates the structural, electronic, optical and charge transport properties of nanostructures such as carbon nanotubes, graphene, semiconductor nanocrystals and nanowires....
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