Fig. 3: Analysis of the PRDFs of Ga sublattices with additional Ga FPs in Ga2O3 lattices. | Nature Communications

Fig. 3: Analysis of the PRDFs of Ga sublattices with additional Ga FPs in Ga2O3 lattices.

From: Universal radiation tolerant semiconductor

Fig. 3

a Ga-Ga PRDFs for the pristine β- and γ-Ga2O3 lattices (in the middle); up and down from the pristine Ga-Ga PRDFs, the same PRDFs for the lattices with increasing numbers of FPs (up for β-Ga2O3 and down for γ-Ga2O3). For the analysis of structural modifications, the features of the Ga-Ga PRDFs are considered separately within the 1st (2.2 ~ 4.0 Å) and 2nd (4.0 ~ 5.2 Å) shells that are indicated by the vertical thin dashed lines. b The snapshots show modifications of both the β-Ga2O3 (up) and the γ-Ga2O3 (down) from the pristine lattices to the lattices with added 600 FPs. Ga ions are shown in brown and O in red. c The increasing similarity of the PRDF values of the β-Ga sublattice with increasing number of FPs versus the PRDF of the pristine γ-Ga within the 2nd shell. d The Pearson correlation coefficient, Pr, calculated within the 2nd shell for the PRDF of the increasingly damaged β-Ga with respect to the pristine β-Ga (blue circles) and γ-Ga (brown circles) PRDFs as a function of the FP number. The similarity to the γ-Ga phase is stronger above the threshold number of FPs (~200) compared to the similarity to the original β-Ga sublattice. See Supplementary Note 8, Supplementary Figs. 912 for more details. The link to the raw data is provided in the Data Availability Statement.

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