fig3

Figure 3. Other possible configurations of 2D-Fe₃C₁₈. Atomic structures of (A) one-sided and (B) in-plane 2D-Fe₃C₁₈ configurations. (C) Energy comparison of three configurations of 2D-Fe₃C₁₈, where the energy of the two-sided configuration (ground-state 2D-Fe₃C₁₈) is set to 0 eV. Phonon dispersion spectra of (D) one-sided and (E) in-plane 2D-Fe₃C₁₈ configurations.