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Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon
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It is well known that nitrogen forms aggregates in diamond. However, little is known regarding aggregation of boron, an impurity that can be incorporated in very high concentrations. In this paper we present the results of first-principles calculations regarding the structure and properties of boron-aggregates, and simple complexes with native defects. We find that certain complexes are shallower acceptors than Bs, and that pairs of boron interstitials, suggested as having a role in the recently observed low-temperature superconduction in B-doped diamond, are unstable and do not provide the shallow acceptor states required. © 2006 The American Physical Society.
Author(s): Goss JP, Briddon PR
Publication type: Article
Publication status: Published
Journal: Physical Review B
Year: 2006
Volume: 73
Issue: 8
ISSN (print): 1098-0121
ISSN (electronic): 1550-235X
Publisher: American Physical Society
URL: http://dx.doi.org/10.1103/PhysRevB.73.085204
DOI: 10.1103/PhysRevB.73.085204
Notes: Article no. 085204 8 pages
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