An Efficient Parity-Blocked Method for Band-Structure Computation of 3D Anisotropic Phononic Crystals

Abstract

Band-structure calculations for three-dimensional anisotropic phononic crystals require the repeated solution of large elastic generalized eigenvalue problems along Bloch paths. In standard staggered-grid discretizations, anisotropic coupling may involve derivative components located at incompatible grid positions, so additional interpolation or averaging closures are often introduced. This paper proposes a parity-blocked rotated staggered discretization based on four Bloch-periodic body-diagonal differences. The directional derivatives are reconstructed from these diagonal differences, leading to a Hermitian $B_hC_hB_h^H$ generalized eigenvalue formulation that incorporates anisotropic derivative coupling without separate interpolation closures. On even grids, when the stiffness and mass matrices are nodewise local multiplication matrices, the body-diagonal shifts preserve two independent parity invariants. The discrete velocity space is then decomposed exactly into four mutually independent block subspaces, and the full discrete spectrum can be recovered by solving the four smaller eigenvalue problems and merging their spectra. The full and block formulations are further organized in a unified Fourier SVD framework, which supports $Γ$-point zero-mode treatment, shift-invert Krylov iteration, inner PCG solves, and GPU matrix-vector products. Numerical experiments for a three-dimensional two-phase anisotropic phononic crystal show that the block implementation preserves the full-space spectrum while substantially reducing the wall-clock time. The results demonstrate that the proposed method provides a structured and efficient solver for large-scale band-structure computations of three-dimensional anisotropic phononic crystals.