Suppression of magnetism in Ba 5 AlIr 2 O 11 : Interplay of Hund's coupling, molecular orbitals, and spin-orbit interaction
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DOI: 10.1103/physrevb.96.014434
Abstract: The electronic and magnetic properties of ${\mathrm{Ba}}_{5}{\mathrm{AlIr}}_{2}{\mathrm{O}}_{11}$ containing Ir-Ir dimers are investigated using the generalized gradient approximation (GGA) and GGA + spin-orbit coupling (SOC) calculations. We found that the strong suppression of the magnetic moment… read more here.
Keywords: orbit interaction; hund; suppression magnetism; interaction ... See more keywords