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Phys. Rev. Lett. 92, 017402 (2004) [4 pages]

Shallow Donors in Diamond: Chalcogens, Pnictogens, and their Hydrogen Complexes

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

J. P. Goss and P. R. Briddon
Physics Centre, School of Natural Science, Newcastle upon Tyne NE1 7RU, United Kingdom

Received 13 May 2003; published 7 January 2004

The utility of diamond as an electronic material is compromised by the lack of a suitable shallow donor. Here, ab initio theory is used to investigate the donor levels of substitutional pnictogen (N, P, As, and Sb) and chalcogen (S, Se, and Te) impurities and chalcogen-hydrogen defects in diamond. Substitutional S is found to be a deep donor, while As and Sb possess donor levels significantly shallower than P, which so far is the most effective shallow donor found by experiment.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.92.017402
DOI:
10.1103/PhysRevLett.92.017402
PACS:
78.20.Bh, 61.72.Bb, 71.55.Cn

*Electronic address: sque@excc.ex.ac.uk