Authors: W. Windl and M.S. Daw
Affilation: Ohio State University, United States
Pages: 494 - 497
Keywords: semiconductor, stress-mediated diffusion, ab-initio calculations, electron size
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.