Fig. 4: Theoretical demonstrations for three level traps model. | Communications Materials

Fig. 4: Theoretical demonstrations for three level traps model.

From: Elucidating and decoupling diverse fatigue mechanisms toward static self-recovery in ZrO2-based antiferroelectrics

Fig. 4: Theoretical demonstrations for three level traps model.The alternative text for this image may have been generated using AI.

a Experimental and fitted curves of the SSR processes in Hf0.1Zr0.9O2 capacitors after different fatigue cycles, using the fixed τ parameters extracted from Fig. 3g. The specific fatigue cycles are 1 × 104, 1 × 105, 5 × 105, 1 × 106, 5 × 106 and 5 × 107, respectively. b Extracted values of P1, P2 and P3 as a function of electrical cycles and their respective fitting curves. c Schematic diagram of 1 × 1 × 3 Pbca ZrO2 supercell, highlighting the locations of neutral Ⅲ-VO and Ⅳ-VO, marked by orange and purple dashed circles, respectively. d, e First-principles calculated E−k dispersion and DOS spectra for supercells with various O-deficient configurations. f Plot of the formation energy of different charged VO as a function of the chemical potential. g Schematic illustration of mechanism for SSR and possible detrapping routes for \({E}_{D-1}^{2+}\): (ⅰ), (ⅳ), (ⅶ); \({E}_{D-2}^{2+}\): (ⅱ), (ⅴ), (ⅵ); \({E}_{D-3}^{2-}\): (ⅲ), (ⅳ), (ⅴ).

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