Figure 1
From: Stanene cyanide: a novel candidate of Quantum Spin Hall insulator at high temperature
Geometric and electronic structures.
(a) Top view of geometric structures of SnCN monolayer, with the lattice parameters of the unit cell. (b) Side view of geometric structures of SnCN monolayer, with the bond length, buckle distance and charge transfers between Sn atom and CN. Yellow and blue area denote the accumulation and depletion electrons respectively. (c) Phonon band dispersion relations. (d) Schematic diagram of the evolution from atomic s and 
orbitals of Sn in SnCN into conduction and valence bands at Γ point. The three stages (I–III) represent the orbital orders with atomic potential, crystal field and spin-orbit coupling taken into account sequentially. The green dashed line denotes the Fermi energy 
. (e) Energy band structure near Fermi level without (left) and with (right) SOC interaction. Parities of Bloch states are denoted by +, −. The red/green dots denote s/
dominated orbitals. The size of dot denotes the weight of projection.
