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Lookup NU author(s): KHALED Etmimi, Mariam Ahmed, Professor Patrick Briddon, Professor Jon Goss, Abdusalam Gsiea
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The N1, W7, M2, N4, M3, and NOC1-4 electron-paramagnetic-resonance centers in diamond have been assigned to pairs of nitrogen donors separated by different numbers of intervening host sites, both in ionized, S=1/2, and neutral S=1 forms. Using density functional techniques, we confirm these models, but in order to do so for the N4 center we show that it is essential that extremely low energy reorientation takes place. We also show that charge exchange and chemical rebonding effects provide an explanation for the distinct forms of S=1, neutral configurations observed. © 2009 The American Physical Society.
Author(s): Etmimi K, Ahmed M, Briddon P, Goss J, Gsiea A
Publication type: Article
Publication status: Published
Journal: Physical Review B
Year: 2009
Volume: 79
Issue: 20
ISSN (print): 1098-0121
ISSN (electronic): 1550-235X
Publisher: American Physical Society
URL: http://dx.doi.org/10.1103/PhysRevB.79.205207
DOI: 10.1103/PhysRevB.79.205207
Notes: Article no. 205207 11 pages
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