Nano Science and Technology Institute
Nanotech 2002 Vol. 2
Nanotech 2002 Vol. 2
Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Chapter 10: Nanoscale Modeling of Front-End Processing in Silicon

Structural and Electronic Properties of Quantum Dot Surfaces

Authors:G. Galli, A Puzder, A.J. Willilamson, J.C. Grossman and L. Pizzagalli
Affilation:Lawrence Livermore National Laboratory, US
Pages:255 - 258
Keywords:silicon quantum dots, germanium quantum dots, surface properties, first-principles molecular dynamics, quantum Monte Carlo
Abstract:We report on recent progress in studying the structural, electronic and optical properties of Si and Ge quantum dots, using first principles calculations. We used both ab initio molecular dynamics techniques and quantum Monte Carlo calculations to unravel the effects of different surface structures and passivations on the properties of Si and Ge dots. Here we discuss the results on the effects of surface structure on the core properties of Ge dots up to 300 atoms and the effects of oxygen and other passivants on the optical properties of Si dots.
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