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Local thermal expansion and the C-C stretch vibration of the dicarbon antisite in 4H SiC

Devaty, R. P.*; Yan, F.*; Choyke, W. J.*; Gali, A.*; Kimoto, Tsunenobu*; Oshima, Takeshi

The Carbon-Carbon (C-C) stretch vibration associated with the dicarbon antisite in 4H Silicon Carbide (SiC) has been observed from up to the fifth harmonic in the low temperature photoluminescence spectrum. By the fitting to the obtained data using the Morse potential, we can obtain the reasonable anharmonicity. We also combined experimental results, the analytically tractable Morse potential, and results obtained from first principles calculations in order to estimate the thermal expansion coefficient of the C-C bond. This local thermal expansion coefficient is considerably smaller than the linear thermal expansion coefficient of bulk 4H SiC, in striking contrast with the recent result obtained from the nitrogen-vacancy center in diamond that the local thermal expansion coefficientis larger than the bulk value.

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