fig4
Figure 4. Calculation results about the stability of the ground-state 2D-Fe3C18. (A) Energy variation during the ab initio molecular dynamics (AIMD) simulation at 1,000 K, where the insets are the corresponding snapshots of the trajectories. (B) Phonon dispersion spectrum. (C) Thirty-two 2c σ bonds in the majority-spin channel. The minority-spin channel shares a similar bonding configuration. (D) One 8c bond in the majority-spin channel. (E) Two 9c bonds in the minority-spin channel.
