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Modul 2 Plane wave method (PWM) crystal band diagrams http ...

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has an overall periodicity of 4a with a defect appearing in the lattice once per period (every four unit<br />

cells). The eigenvalue equation taking this into account is identical to the unit cell case (Equation 29),<br />

except the matrix now includes the effect of the N x N supercell,<br />

Figure 2.9: Example of a 4 x 4 supercell. The dotted line represents the supercell itself, and the solid<br />

line represents the area covered by the integral in the dielectric Fourier coefficient computation.<br />

where . Analogous to Equation (30) we obtain<br />

The Area factor that appears outside the integral in Equation (31) is now dependent on the size of the<br />

supercell. For example, in a 4 x 4 supercell this becomes . In addition, it is now more<br />

complicated to integrate in cylindrical coordinates, as many air holes are distributed at points other than<br />

the center of the coordinate system. This can be accounted for by making the following substitutions<br />

into Equation (31):<br />

(35)

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