Fig. 3 | Scientific Reports

Fig. 3

From: Large-scale atomistic study of plasticity in amorphous gallium oxide with ab-initio accuracy

Fig. 3

(ad) Radial distribution function and partial radial distribution functions of the a-\({\text {Ga}_{2}\text {O}_{3}}\) structures. (e, f) Bond angle distribution functions of O–Ga–O (Ga centered) and Ga–O–Ga (O centered) bond angles at 3000 K, 1000 K, 300 K and 50% strained conditions. Cutoff distance is 2.3 Å for creation of bonds. The bin size is \(1^\circ\) and the results are normalized by the total bond number. (g, h) Coordination distributions of Ga atoms, O atoms, and (i) polyhedra type at 3000 K, 1000 K, 300 K, and 50% strained conditions. Inset shows the definition of edge-sharing (ES) and corner-sharing (CS) polyhedron in yellow and green, respectively. Gallium and oxygen atoms are colored red and blue respectively. The results are normalized by the total number of the corresponding type.

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