Recently, we have presented the development of a complete predictive simulation capability for the effects of general anisotropic nonuniform stress on dopant diffusion in silicon [M. Laudon, N. N. Carlson, M. P. Masquelier, M. S. Daw, and W. Windl, Appl. Phys. Lett. 78, 201 (2001)]. As a by-product of these calculations, we calculated a physical volume of 15 3 for electrons in Si from first-principles which is the topic of the present paper. It is argued that the physical electron volume that we have calculated for the silicon solid can be considered to represent a lower boundary for the effective size of semiconductor electrons that needs to be taken into account in quantum transport simulations.
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Published: April 22, 2002
Pages: 197 - 200
Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics
Topic: Modeling & Simulation of Microsystems