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Lookup NU author(s): Dr Mark Rayson,
Professor Jon Goss,
Professor Patrick Briddon
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We present ab initio calculations of the zero-field splitting tensors for the 100-split self-interstitial in diamond (R2) and VH2* and VO* in silicon. It is demonstrated that, especially in silicon, sampling of the Brillouin Zone (BZ) and the inclusion of all valence states in the calculation is vital. © 2003 Published by Elsevier B.V.
Author(s): Briddon PR; Rayson MJ; Goss JP
Editor(s): Bonde Nielsen K., Nylandsted Larsen A., Weyer G.
Publication type: Conference Proceedings (inc. Abstract)
Publication status: Published
Conference Name: Physica B: Condensed Matter
Year of Conference: 2003
Publisher: Elsevier BV