Abstract
We have studied trends in the ab initio electronic structure, spin moments, orbital moments and magneto-optical (MO) properties of MPt3 compounds. The calculated quantities agree well with the experimental data. It was found that values of the local orbital moments are closely connected with the predominant spin character of electronic states near the Fermi energy (EF). Features of the MO spectra of compounds are primarily defined by the absorptive off-diagonal conductivity σ2,xy(ω). The spin decomposition of this quantity showed that at the MO resonance energy σ2,xy(ω) is formed mainly by spin-up electronic transitions to an unoccupied part of the hybridized {M3d ↑-Pt5d ↑} band. These transitions are intense for CrPt3 and MnPt3, having high MO activity. A reduction of the unoccupied part of {M3d ↑-Pt5d ↑} band in FePt3 and CoPt3 results in the weak electronic transitions and in small calculated Kerr rotation values for these compounds.
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