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Quantum mechanical modeling of the structure and doping properties of defects in diamond

Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon, Rohini Sachdeva


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The extreme materials properties of diamond lend it to a range of semiconductor applications, but the difficulty in forming n-type diamond, and the unintentional inclusion of deleterious impurities has proved problematic. Co-doping diamond with boron and deuterium yields n-type conduction and recent theory suggests that BD2 and BD3 complexes have shallow donor levels. We show here that the proposed structures are unstable and structural relaxation result in deep levels or passive defects. We also comment on other proposed co-doping schemes: N-H-N, S-H and Si-4-N. Finally we show that combination of theory and the polarized uptake of Ni in diamond contradict the current interstitial Ni models for the 1.404 eV center.

Publication metadata

Author(s): Goss JP, Briddon PR, Sachdeva R, Jones R, Sque SJ

Editor(s): Menendez, J., VanDeWalle, C.G.

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: 27th International Conference on the Physics of Semiconductors (ICPS)

Year of Conference: 2005

Pages: 91-94

ISSN: 0094-243X

Publisher: American Institute of Physics

Library holdings: Search Newcastle University Library for this item

ISBN: 9780735402577