Hydrogen-related photoluminescent centers in SiC

D. Prezzi, T.A.G. Eberlein, R. Jones, B. Hourahine, P.R. Briddon, S. Öberg

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


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 VSi-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 H2 * 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.
Original languageEnglish
Article number205207
Number of pages5
JournalPhysical Review B: Condensed Matter and Materials Physics
Issue number20
Publication statusPublished - 12 Nov 2004


  • local density functional calculations
  • photoluminescent centers
  • SiC
  • nanoscience


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