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Phys. Rev. B 72, 035214 (2005) [11 pages]

Vacancy-impurity complexes and limitations for implantation doping of diamond

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J. P. Goss, P. R. Briddon, and M. J. Rayson
School of Natural Sciences, University of Newcastle upon Tyne, Newcastle upon Tyne, NE1 7RU, United Kingdom

S. J. Sque and R. Jones
School of Physics, University of Exeter, Exeter, EX4 4QL, United Kingdom

See Also: Erratum

Received 23 March 2005; revised 23 May 2005; published 18 July 2005

Many candidates have been proposed as shallow donors in diamond, but the small lattice constant means that many substitutional impurities generate large strains and thus yield low solubilities. Strained impurities favor complex formation with other defects and, in particular, the lattice vacancy. We report the results of first-principles calculations regarding the geometry, electronic structure, and energetics of impurity-vacancy complexes in diamond and show that such complexes explain the generally low doping efficiency for implanted material.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.72.035214
DOI:
10.1103/PhysRevB.72.035214
PACS:
61.72.Ji, 61.72.Bb, 71.20.Mq, 71.23.An

See Also

Erratum: J. P. Goss, P. R. Briddon, M. J. Rayson, S. J. Sque, and R. Jones, Erratum: Vacancy-impurity complexes and limitations for implantation doping of diamond [Phys. Rev. B 72, 035214 (2005)], Phys. Rev. B 73, 199904 (2006).