Abstract
We present microscopic model calculations of phosphorous -doped silicon. Using the planar Wannier orbitals [Y. C. Chang and G. Li, Comput. Phys. Commun. 95, 158 (1996)] obtained based on the pseudopotential method, we calculate the electronic structures of a large slab (1000 ML) self-consistently (for doping electrons), taking into account both the long-range Coulomb potential in the direction perpendicular to the doping plane and the short-range interaction due to the monolayer (ML) phosphor doping. Our results show that the Fermi level after doping is about below silicon conduction band minimum (CBM). We also find that the short-range interaction due to P dopants only has a minor influence on the Fermi level.
- Received 20 July 2004
DOI:https://doi.org/10.1103/PhysRevB.71.045309
©2005 American Physical Society