Figure 2
From: Quantum anomalous Hall and quantum spin-Hall phases in flattened Bi and Sb bilayers
Structural stability of bismuthane: MD simulation and phonon spectrum.
(a) Molecular dynamics (MD) simulation using the NVT ensemble for a 3 × 3 bismuthane at 300K; (upper panel) the temperature variation in time with blue dots denoting the time steps at which the snap shots (lower panel) are taken. Atomic deformation is insignificant, supporting the structural stability at room temperature. (b) Calculated phonon band structure without the SOC for bismuthane. No imaginary frequency is observed, again supporting the structural stability of bismuthane.
