Galli G., Puzder A., Willilamson A.J., Grossman J.C., Pizzagalli L.
Lawrence Livermore National Laboratory, US
Keywords: first-principles molecular dynamics, germanium quantum dots, quantum Monte Carlo, silicon quantum dots, surface properties
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.
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Published: April 22, 2002
Pages: 255 - 258
Industry sector: Sensors, MEMS, Electronics
Topic: Informatics, Modeling & Simulation
ISBN: 0-9708275-6-3