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Phys. Rev. B 71, 045309 (2005) [9 pages]

Theoretical study of phosphorous δ -doped silicon for quantum computing

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Gefei Qian1, Yia-Chung Chang1, and J. R. Tucker2
1Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801, USA
2Department of Electrical Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Received 20 July 2004; revised 28 October 2004; published 12 January 2005

We present microscopic model calculations of phosphorous δ -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 1∕4 monolayer (ML) phosphor δ doping. Our results show that the Fermi level after doping is about 100  meV 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.


©2005 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevB.71.045309
DOI: 10.1103/PhysRevB.71.045309
PACS: 73.20.Hb, 73.61.Cw, 71.55.Cn, 71.10.Ca

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