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Phys. Rev. B 65, 184108 (2002) [4 pages]

Alphabet luminescence lines in 4H-SiC

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T. A. G. Eberlein, C. J. Fall, and R. Jones
School of Physics, University of Exeter, Exeter EX4 4QL, United Kingdom

P. R. Briddon
Department of Physics, University of Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU, United Kingdom

S. Öberg
Department of Mathematics, University of Luleå, Luleå, S95 187, Sweden

Received 5 February 2002; published 7 May 2002

First-principles density functional calculations are used to investigate antisite pairs in 4H-SiC. We show that they are likely to be formed in close proximity under ionizing conditions, and they possess a donor level and thermal stability consistent with the series of 40 photoluminescent lines called the alphabet lines. Moreover, the gap vibrational mode of the silicon antisite defect is close to a phonon replica of the b1 line and possesses a weak isotopic shift with 13C in agreement with observation.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.65.184108
DOI:
10.1103/PhysRevB.65.184108
PACS:
61.72.Ji, 61.80.Az, 63.20.Pw, 71.55.-i