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The electronic, structural and vibrational properties of small carboninterstitial and antisite clusters are investigated by ab initio methods in 3Cand 4H-SiC. The defects possess sizable dissociation energies and may be formedvia condensation of carbon interstitials, e.g. generated in the course of ionimplantation. All considered defect complexes possess localized vibrationalmodes (LVM's) well above the SiC bulk phonon spectrum. In particular, thecompact antisite clusters exhibit high-frequency LVM's up to 250meV. Theisotope shifts resulting from a_{13}C enrichment are analyzed. In the light ofthese results, the photoluminescence centers D_{II} and P-U are discussed. Thedicarbon antisite is identified as a plausible key ingredient of theD_{II}-center, whereas the carbon split-interstitial is a likely origin of theP-T centers. The comparison of the calculated and observed high-frequency modessuggests that the U-center is also a carbon-antisite based defect.Comment: 15 pages, 6 figures, accepted by Phys. Rev.

Structure and vibrational spectra of carbon clusters in SiC