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Title: Anharmonic vibrations of the dicarbon antisite defect in 4H-SiC
Authors: Yan, F.
Devaty, R. P.
Choyke, W. J.
Gali, A.
Kimoto, T.  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-6649-2090 (unconfirmed)
Ohshima, T.
Pensl, G.
Keywords: ab initio calculations
anharmonic lattice modes
antisite defects
electron beam effects
helium
hydrogen
ion implantation
Morse potential
photoluminescence
potential energy surfaces
semiconductor epitaxial layers
silicon compounds
wide band gap semiconductors
Issue Date: Mar-2012
Publisher: American Institute of Physics
Journal title: APPLIED PHYSICS LETTERS
Volume: 100
Issue: 13
Thesis number: 132107
Abstract: Dicarbon antisite defects were created by either electron irradiation or ion implantation into 4H-SiC. The no-phonon lines from the dicarbon antisite defect center were observed with their phonon replicas. The stretch frequencies of the defect were observed up to the fifth harmonic. The Morse potential model accounts for the anharmonicity quite well and gives a very good prediction of the vibration energies up to the fifth harmonic with an error of less than 1%. First principles calculations show that the model of a dicarbon antisite defect along with its four nearest neighboring carbon atoms can explain the observed anharmonicity.
Rights: Copyright 2012 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in APPLIED PHYSICS LETTERS 100, 132107 (2012) and may be found at http://link.aip.org/link/?apl/100/132107
URI: http://hdl.handle.net/2433/160623
DOI(Published Version): 10.1063/1.3699269
Related Link: http://link.aip.org/link/?apl/100/132107
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