Fig. 5: Line defect in silicon crystal.
From: A unified moment tensor potential for silicon, oxygen, and silica
Positions and relaxed structures of [110] screw dislocation cores in Si obtained with the MTP potential. The system size was set to 14400 atoms and oriented such that the x, y, and z directions coincide to [11-2], [111], [110] respectively. The dislocation core structures are in good agreement with DFT core structures reported in the literature56. The core types are represented by A, B, C1, and C2, respectively. The red mark indicates the position of the dislocation core. Dislocation configurations were excluded from the training dataset.
