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Vacant sites

In the nickel fluoride lattice the existance of vacant nickel and fluorine ion lattice sites can be considered. When a lattice vacancy is introduced into the crystal the surrounding lattice ions move (relax) in response to the incorperation of the defect. The extent and nature of this relaxation determins the magnitude of the defect energy.

Vacant Nickel Sites

The following animation shows how the lattice responds to the incorperation of a nickel vacancy. In this reprensentaion a 2x2 unit cell lattice cluster is shown. The nickel vacancy is at the center of the cluster and the view is in the [001] direction.

The following animation is the same 2x2 unit cell lattice cluster but viewed along the [100] direction.

Images created using CASPLOT (by G.BUSKER)
a utility to visualize the results of CASCADE atomistic simulation calculations.

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