Computing extremal eigenvalues for three-dimensional photonic crystals with wave vectors near the brillouin zone center

The band structures of three-dimensional photonic crystals can be determined numerically by solving a sequence of generalized eigenvalue problems. However, not all of the spectral structures of these eigenvalue problems are well-understood, and not all of these eigenvalue problems can be solved efficiently. This article focuses on the eigenvalue problems corresponding to wave vectors that are close to the center of the Brillouin zone of a three dimensional, simple cubic photonic crystal. For these eigenvalue problems, there are (i) many zero eigenvalues, (ii) a couple of near-zero eigenvalues, and (iii) several larger eigenvalues. As the desired eigenvalues are the smallest positive eigenvalues, these particular spectral structures prevent regular eigenvalue solvers from efficiently computing the desired eigenvalues. We study these eigenvalue problems from the perspective of both theory and computation. On the theoretical side, the structures of the null spaces are analyzed to explicitly determine the number of zero eigenvalues of the target eigenvalue problems. On the computational side, the Krylov-Schur and Jacobi-Davidson methods are used to compute the smallest, positive, interior eigenvalues that are of interest. Intensive numerical experiments disclose how the shift values, conditioning numbers, and initial vectors affect the performance of the tested eigenvalue solvers and suggest the most efficient eigenvalue solvers.