Carbon antisite clusters in SiC: a possible pathway to the D_{II} center

Details Carbon antisite clusters in SiC: a possible pathway to the D_{II} center Carbon antisite clusters in SiC: a possible pathway to the D_{II} center

2003-09-04

arxiv.org/abs/cond-mat/0309112v3

Phys. Rev. B, 69 (2004) 045322

Physics

Condensed Matter

Materials Science

RevTeX 4, 6 pages, 3 figures Changes in version 2: Section headings, footnote included in text, vibrational data now given for

Scientific paper

10.1103/PhysRevB.69.045322

The photoluminescence center D_{II} is a persistent intrinsic defect which is common in all SiC polytypes. Its fingerprints are the characteristic phonon replicas in luminescence spectra. We perform ab-initio calculations of vibrational spectra for various defect complexes and find that carbon antisite clusters exhibit vibrational modes in the frequency range of the D_{II} spectrum. The clusters possess very high binding energies which guarantee their thermal stability--a known feature of the D_{II} center. The di-carbon antisite (C_{2})_{Si} (two carbon atoms sharing a silicon site) is an important building block of these clusters.

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