Abstract
The magneto-optical properties of MnBi show some striking features which we address here by calculating the Kerr spectra of pure MnBi, as well as of MnBiX 0.5, (X Mn, Si, Al, O, Pt), and MnBiX 0.5Y 0.5 (X,Y)(Al,Al), (Al,O), (Pt,Pt). This system of compounds constitutes an example for which we demonstrate how much first-principles calculations can achieve and how our findings can be used to advance our knowledge of the origin of magneto-optical properties. The calculations are based on the local density functional approximation (LDA) and the augmented spherical wave (ASW) band structure method including the scalar-relativistic and spin-orbit coupling terms. Our results allow some statements concerning the connection of material properties with the magneto-optical properties.
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