Fig. 4: Oxygen ion diffusivity trends under various temperatures and densities. | npj Computational Materials

Fig. 4: Oxygen ion diffusivity trends under various temperatures and densities.

From: Charge integrated graph neural network-based machine learning potential for amorphous and non-stoichiometric hafnium oxide

Fig. 4: Oxygen ion diffusivity trends under various temperatures and densities.

a Temperature dependence of oxygen ion diffusivity for m-HfO2 and a-HfOx systems. The red stars represent the CNMP results for a-HfOx. Squares and circles in the legend represent data points from previous studies on m-HfO2 and a-HfOx, respectively. The thick, semi-transparent red line shows the best fit to the CNMP results, illustrating the temperature dependency. b Oxygen ion diffusivity for a-HfOx systems with varying densities. Each density is denoted on the x-axis along with its corresponding stoichiometry. The median is represented by the inner line of each box plot, with 25th and 75th percentiles as the lower and upper edges, respectively. Outliers are denoted by dots.

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