In the present thesis, computational methods for theanalysis and design of photonic bandgap structure areconsidered. Many numerical methods have been used to study suchstructures. Among them, the plane wave expansion method is veryoften used. Using this method, we show that inclusions ofelliptic air holes can be used effectively to obtain a largercomplete band gap for two-dimensional (2D) photonic crystals.An optimal design of a 2D photonic crystal is also consideredin the thesis using a combination of the plane wave expansionmethod and the conjugate gradient method. We find that amaximum complete 2D band gap can be obtained by connectingdielectric rods with veins for a photonic crystal with a squarelattice of air holes in GaAs. For some problems, such as defect modes, the plane waveexpansion method is extremely time-consuming. It seems that thefinite-difference time-domain (FDTD) method is promising, sincethe computational time is proportional to the number of thediscretization points in the computation domain (i.e., it is oforderN). A FDTD scheme in a nonorthogonal coordinate systemis presented in the thesis to calculate the band structure of a2D photonic crystal consisting of askew lattice. The algorithmcan easily be used for any complicated inclusion configuration,which can have both the dielectric and metallic constituents.The FDTD method is also applied to calculate the off-plane bandstructures of 2D photonic crystals in the present thesis. Wealso propose a numerical method for computing defect modes in2D crystals (with dielectric or metallic inclusions). Comparedto the FDTD transmission spectra method, our method reduces thecomputation time and memory significantly, and finds as manydefect modes as possible, including those that are not excitedby an incident plane wave in the FDTD transmission spectramethod. The FDTD method has also been applied to calculateguided modes and surface modes in 2D photonic crystals using acombination of the periodic boundary condition and theperfectly matched layer for the boundary treatment. Anefficient FDTD method, in which only real variables are used,is also proposed for the full-wave analysis of guided modes inphotonic crystal fibers. / QC 20100629