Spin-orbit coupling driven novel magnetism in d 6H-perovskite iridates BaIrTiO and BaTiIrO.

In the present paper, we have carried out a comparative first principles as well as model Hamiltonian study to understand the novel magnetism in 6H perovskite iridates BaIrTiO and BaTiIrO resulting from an unusual combination of geometrical as well as exchange frustration owing to their unique crystal geometry. Our model calculations corroborated with multipolar analysis provides a comprehensive understanding of the spin-orbit entangled [Formula: see text] pseudo-spin states in both materials. While, the [Formula: see text] character is quite robust in the former compound, it is found to be directly related to the nature of magnetism in the latter iridate.

Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state.

In this paper, we have studied the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. The magnetic structures are determined by the competition between direct and superexchange interactions, which have been analyzed by the parameters obtained from maximally localized Wannier functions. The intrinsic electronic structures of the clusters have been thoroughly studied by looking into the hybridization (quantified using the Hybridization Index) and charge transfer scenario.

A study of magnetism in disordered Pt-Mn, Pd-Mn and Ni-Mn alloys: an augmented space recursion approach.

In this paper we shall study three binary alloy systems, one constituent of which is Mn. The other constituents are chosen from a particular column of the periodic table: Ni(3d), Pt (4d) and Pd (5d). As we go down the column, the d-bands become wider, discouraging spin-polarization.