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Journal Article

Lattice parameter and Raman spectra of isotopically mixed diamond


Biernacki,  S. W.
Institute of Physics, Polish Academy of Sciences;
Theory, Fritz Haber Institute, Max Planck Society;

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Biernacki, S. W. (1997). Lattice parameter and Raman spectra of isotopically mixed diamond. Physical Review B, 56(18), 11472-11476. doi:10.1103/PhysRevB.56.11472.

Cite as: https://hdl.handle.net/21.11116/0000-0008-DF17-4
The influence of isotope mass and anharmonicity on the lattice parameter of isotopically mixed diamond is studied in a simple theoretical model. The performed calculations confirm that in good approximation the lattice parameter changes linearly with the isotope concentration. We show that the stretching harmonic-force constants for pure 12C and 13C differ slightly and we explain why the Raman-frequency ratio is smaller than the square root of the ratio of the corresponding masses. Finally, the positive bowing of the Raman frequency in isotopically mixed diamond is discussed