Fig. 4: The defect formation energies of Ca and Si in bulk (dashed lines) and at the Σ13 α-Al2O3 GB. | Nature Communications

Fig. 4: The defect formation energies of Ca and Si in bulk (dashed lines) and at the Σ13 α-Al2O3 GB.

From: Grain boundary structural transformation induced by co-segregation of aliovalent dopants

Fig. 4

Defect formation energies at a G(O) and b M(Al) GB structures (solid lines) as a function of Fermi level, respectively. The Ca and Si dopants are located at A and D sites in the M(Al) GB structure, respectively. The black vertical lines correspond to the Fermi levels at respective thermal equilibrium.

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