Broadband Green’s function-KKR-multiple scattering method for calculations of normalized band-field solutions in magneto-optics crystals

Abstract

We apply the broadband Green’s function-KKR-multiple scattering theory (BBGF-KKR-MST) to calculate normalized band-field solutions of magneto-optic crystals. The advantage of the method is that the matrix eigensystem equations are of low order. For the first three bands, a total of three cylindrical waves is sufficient to characterize the eigensystem and the dimension of the matrix equation is only three. Using the eigenvalue and the eigenvector, the band-field solutions and the normalizations are calculated by two methods: (i) the method of complementary plane waves and (ii) the method of higher-order cylindrical waves. The complementary plane waves satisfy the extinction theorem. The higher-order cylindrical waves method requires only 15 coefficients of cylindrical waves to represent the band fields in the entire cell. The normalizations of the band-field solutions are calculated without the need for volumetric integrations. Results are illustrated for points in the first Brillouin zone. The CPU time requirement using MATLAB is 28 ms for the first four bands of a point in the Brillouin zone.