Fig. 3: The spin-resolved band structure in the process of the breathing ferroelectric switching.
From: Breathing ferroelectricity induced topological valley states in kagome niobium halide monolayers
The spin-resolved band structure of monolayer Nb3I8 in the process of the breathing ferroelectric switching. a–e correspond to breathing-in configurations with upward polarization, and (f–j) are cases in the breathing-out regime with downward polarization. The irreducible representations are indicated on the corresponding energy bands. The inset illustrates the variation of the Nb framework during the breathing transition, which represents the switching process of ferroelectricity. The parameter κ, which characterizes the breathing distortion of the corresponding structure, is also indicated. We generate a series of relaxed monolayer Nb3I8 geometries with breathing‑in and breathing‑out κ values by linear interpolation, and representative structures from this series are presented. A brief discussion of the stability of these transition states is provided in the Supplementary Note 2.
