The phonon dispersion curves for the predicted X,Y-carbon allotropes are shown in Fig. 10.1 and Fig. 10.2. The absence of any imaginary frequency modes confirms their dynamical stability.
Figure 10.1: Phonon dispersion at 0 GPa for X-carbon.
Figure 10.2: Phonon dispersion at 0 GPa for Y-carbon.
Crystal Structure Prediction and its Application in Earth and Materials Sciences