Figure 1: The pyrochlore crystal structure showing the Ir corner sharing tetrahedral network and the “all-in/all-out” magnetic configuration predicted to occur for iridates.
Figure 1: The pyrochlore crystal structure showing the Ir corner sharing tetrahedral network and the “all-in/all-out” magnetic configuration predicted to occur for iridates.

In 5d transition metal oxides, novel properties arise from the interplay of electron correlations and spin–orbit interactions. In this paper, we briefly review our theoretical progress relating to 5d compounds. We focus on describing the topological Weyl-Semimetal in pyrochlore iridates, the Axion insulator in spinel osmates, the Slater insulator in perovskite osmates. We also discuss the anisotropic unscreened Coulomb interaction in ferroelectric metal LiOsO3.

This paper was originally published in Computational Materials 112, Part B, (2016) 416–427.

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