Nano Science and Technology Institute
Nanotech 2006 Vol. 1
Nanotech 2006 Vol. 1
Technical Proceedings of the 2006 NSTI Nanotechnology Conference and Trade Show, Volume 1
Chapter 7: Nanoscale Modeling

Designing Opto-Electronic Nanomaterials Using First Principles Simulations

Authors:A.J. Williamson
Affilation:Lawrence Livermore National Laboratory, US
Pages:681 - 684
Keywords:nanomaterials, quantum dots, quantum wires, silicon, simulations
Abstract:The results of recent first principles simulations of the structural and opto-electronic of semiconductor nanomaterials will be presented. We will show how the opto-electronic properties of silicon nanomaterials can be controlled by altering their size, shape and surface structure. In particular we predict the dependence of the stability, optical gap, band structure, and transport properties of silicon quantum dots and wires on their size, crystal structure, growth direction, surface structure and surface chemistry.
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