Figure 3 | Scientific Reports

Figure 3

From: Correlating the Energetics and Atomic Motions of the Metal-Insulator Transition of M1 Vanadium Dioxide

Figure 3

Variation of characteristic distances of the VO2 structure across the energy path determined by the elastic band calculations.

The data points (filled black circles) are linearly interpolated to guide the eye. Of note are monotonic trends with step progression of all distances apart from V-V Corner long, which initially contracts, then expands. Illustrations of what each distance corresponds to are contained in Fig. 1.

Back to article page