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Lookup NU author(s): Professor Jon Goss,
Professor Patrick Briddon,
Dr Mark Rayson
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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.
Author(s): Goss JP, Briddon PR, Rayson MJ, Sque SJ, Jones R
Publication type: Article
Publication status: Published
Journal: Physical Review B - Condensed Matter and Materials Physics
ISSN (print): 1098-0121
ISSN (electronic): 1550-235X
Publisher: American Physical Society
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