Phys. Rev. B 71, 045309 (2005) [9 pages]Theoretical study of phosphorous δ-doped silicon for quantum computingReceived 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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