Fig. 4: Planar defect in silicon crystal. | npj Computational Materials

Fig. 4: Planar defect in silicon crystal.

From: A unified moment tensor potential for silicon, oxygen, and silica

Fig. 4

γ-lines on the (111) plane as predicted by DFT, MTP, TS and SW. The shuffle (S) and glide (G) cuts are illustrated in the inset. a The MTP provides a good description of the γ-line associated to the shuffle cut and b a near-perfect description of the γ-line associated to the glide cut. Insets (i), (ii), and (iii) represent the bulk structure, the relaxed shuffle (S) structure, and the relaxed glide (G) structure, respectively.

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