Fig. 3: Theoretical calculation and experimental characterization of r-Bi2Se2.4 bonding.

a Electron density difference map of r-Bi8Se12. b The EELS spectrum of r-Bi2Se2.4. c The real (ε1) and imaginary (ε2) parts of r-Bi8Se12 calculated by DFT. The inset is an enlarged view of the area where ε1 is close to zero. This indicates that there is plasma oscillation when ε1 passes through the zero point with a positive slope. Electronic localization function of r-Bi8Se12: d the Se1-Bi long bond, e Se1-Bi short bond, f Bi-Se2 long bond, and g Bi-Se2 short bond