No abstract uploaded!

This article focuses on numerically studying the eigenstructure behavior of generalized eigenvalue problems (GEPs) arising in three dimensional (3D) source-free Maxwell's equations with magnetoelectric coupling effects which model 3D reciprocal chiral media. It is challenging to solve such a large-scale GEP efficiently. We combine the null-space free method with the inexact shift-invert residual Arnoldi method and MINRES linear solver to solve the GEP with a matrix dimension as large as 5,308,416. The eigenstructure is heavily determined by the chirality parameter $\gamma$. We show that all the eigenvalues are real and finite for a small chirality $\gamma$. For a critical value $\gamma = \gamma^*$, the GEP has $2 \times 2$ Jordan blocks at infinity eigenvalues. Numerical results demonstrate that when $\gamma$ increases from $\gamma^*$, the $2 \times 2$ Jordan block will first split into a complex conjugate eigenpair, then rapidly collide \tr{with} the real axis and bifurcate into \tr{positive (resonance) and negative eigenvalues with modulus} smaller than the other existing positive eigenvalues. The resonance band also exhibits an anticrossing interaction. Moreover, the electric and magnetic fields of the resonance modes are localized inside the structure, with only a slight amount of field leaking into the background (dielectric) material.

Full spectrum of a large sparse $\top$-palindromic quadratic eigenvalue problem ($\top$-PQEP) is considered arguably for the first time in this article. Such a problem is posed by calculation of surface Green's functions (SGFs) of mesoscopic transistors with a tremendous non-periodic cross-section. For this problem, general purpose eigensolvers are not efficient, nor is advisable to resort to the decimation method \etc to obtain the Wiener-Hopf factorization. After reviewing some rigorous understanding of SGF calculation from the perspective of $\top$-PQEP and nonlinear matrix equation, we present our new approach to this problem. In a nutshell, the unit disk where the spectrum of interest lies is broken down adaptively into pieces small enough that they each can be locally tackled by the generalized $\top$-skew-Hamiltonian implicitly restarted shift-and-invert Arnoldi (G$\top$SHIRA) algorithm with suitable shifts and other parameters, and the eigenvalues missed by this divide-and-conquer strategy can be recovered thanks to the accurate estimation provided by our newly developed scheme. Notably the novel non-equivalence deflation is proposed to avoid as much as possible duplication of nearby known eigenvalues when a new shift of G$\top$SHIRA is determined. We demonstrate our new approach by calculating the SGF of a realistic nanowire whose unit cell is described by a matrix of size $4000\times 4000$ at the density functional tight binding level, corresponding to a $8\times 8\; \mbox{nm}^{2}$ cross-section. We believe that quantum transport simulation of realistic nano-devices in the mesoscopic regime will greatly benefit from this work.

No abstract uploaded!

No abstract uploaded!