Calculated magneto-optical properties of pure and doped MnBi

摘要: The magneto-optical properties of MnBi show some striking features which we address here by calculating the Kerr spectra pure MnBi, as well (X = Mn, Si, Al, O and Pt) (X, Y) (Al, Al) O), (Pt, Pt). This system compounds constitutes an example for demonstrate how much first-principles calculations can achieve our findings be used to advance knowledge origin properties. Our are based on local density functional approximation (LDA) augmented spherical wave (ASW) band structure method including scalar - relativistic spin orbit coupling terms determine effective one-electron energies wavefunctions. From this derive inter-band intra-band contributions optical conductivity tensor. results allow statements concerning connection material with Thus, instance, led believe that oxygen plays important role in explaining experimental spectrum MnBi. Furthermore, measured enhancement angle Al-alloyed is most probably not due occupation interstitial sites Al atoms. In contrast Pt-alloyed indicate Pt partly occupies sites.