The electron structure of Al containing Y-hexaferrite that exhibits the giant magnetoelectricity is calculated. Results show strong preference of Al for octahedral sites. Orbital moment of some of the iron ions is found to be unusually large.
We employ ^{67}Zn NMR to study distribution of Zn^{2+} in cationic sites of magnetoelectric Y-type hexaferrite single crystal, Ba_{0.5} Sr_{1.5} Zn_2 Fe_{12} O_{22}. The experimental data are interpreted by comparison with NMR spectra simulated from ab initio calculated hyperfine parameters.
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