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Lookup NU author(s): Professor Patrick Briddon
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Local density functional calculations are used to investigate models of the center responsible for a prominent set of luminescent lines with zero-phonon lines around 3.15 eV in hydrogen rich 4H-SiC and previously attributed to V S1-H. We find that the electronic structure of this defect and the character of its vibrational modes are inconsistent with this assignment. In contrast, a H*2 center, bound to a carbon anti-site, is more stable than the isolated molecule and possesses a donor level close to that observed for the H-lines. Moreover, its vibrational modes are in good agreement with experiment. A possible mechanism for the radiation enhanced quenching of the defect is discussed.
Author(s): Prezzi D, Eberlein TAG, Jones R, Hourahine B, Briddon PR, Oberg S
Publication type: Article
Publication status: Published
Journal: Physical Review B
Year: 2004
Volume: 70
Issue: 20
ISSN (print): 0163-1829
ISSN (electronic):
Publisher: American Physical Society
URL: http://dx.doi.org/10.1103/PhysRevB.70.205207
DOI: 10.1103/PhysRevB.70.205207
Notes: Article no. 205207 5 pages
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