Electronic Structure of the CuCl₂(100) Surface: A DFT First-Principle Study

Figure 4

(a) Side view of the (2 × 2) unit-cell of the CuCl₂(100) surface and (b) side view of the (2 × 2) unit-cell of the CuCl₂(100) surface but the atoms in Figure 4(b) are rotated with small angle to show the atoms in each layer. The (b) direction is perpendicular to both (a) and (c). The unit-cell is distorted in the (c) direction, which represents the height.

(a)

(b)