Figure 1
From: Trigonal multivalent polonium monolayers with intrinsic quantum spin Hall effects
(a) Top and side views of the trigonal poloniumene. The red (blue) spheres denote the Po atoms at the central (outer) layer(s). (b) The total energy as a function of the lattice constant, where the total energy (− 8.918 eV) of the equilibrium structure with a0 = 4.43 Ǻ is set as zero energy reference. The inset shows the difference of the charge densities between the poloniumene and the isolated Po atoms. The yellow color indicates gaining electrons, while the blue indicates losing electrons. (c) Phonon dispersion curves of the trigonal poloniumene without (red curves) and with (black curves) SOC. (d) Energy variation of the trigonal poloniumene during the AIMD simulations at 300 K, where the total energy (− 140 eV) is set as zero energy reference. The inset displays a snapshot of the final frame of the poloniumene at a time of 9 ps.
