Authors: A.J. Williamson
Affilation: Lawrence Livermore National Laboratory, United States
Pages: 681 - 684
Keywords: nanomaterials, quantum dots, quantum wires, silicon, simulations
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.