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Make void

Create a void in triclinic super-cell (up to 20000 the atoms of the super-cell are tabulated). The unit cell can be duplicated a maximum of 48 times in each direction and the void size selected (Fig. 2b).

The toolbar contains tools to:

Figure1

Figure 1 Make void in Si.

Figure2a

Figure2b

Figure 2a 3-D view of the Si 10 × 10 × 10 unit cells.

Figure 2b Selecting the void size and the slices thickness.

The Si block is pretty thick and must be sliced to do dynamical calculation. A slice thickness of 0.2 nm is selected and the number of slices set.

Figure3a

Figure3b

Figure 3a 3-D view of the slice 18.

Figure 3b Projected potential of slice 18.

Figure4

Figure 4 3-D view of a cut of the Si block.

SiVoid model (8'000 atoms).

SiVoid. 18th slice.