Local Thermal Expansion and the C-C Stretch Vibration of the Dicarbon Antisite in 4H SiC

The C-C stretch vibration associated with the dicarbon antisite in 4H SiC has been observed out to the fifth harmonic in the low temperature photoluminescence spectrum. The anharmonicity is accounted for reasonably well by fits to the data based on the Morse potential. We combine the observations from experiment, the analytically tractable Morse potential, and results obtained from first principles calculations on this defect to obtain an estimate of 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 for the nitrogen-vacancy center in diamond that the local thermal expansion coefficient is larger than the bulk value.