| Summary: | This thesis focuses on the interplay of the spin-orbit coupling, the electronic correlations and the bandwidth energy scales, along with the lattice distortions seen in perovskite iridates. In particular, we study the magnetic phases in these materials and the insulator to metal transition that occurs as the dimensionality of the system is changed.
Motivated by the novel magnetic phases seen in the Sr2IrO4 system, we study the band structures of three materials in the Sr(n+1)Ir(n)O(3n+1) Ruddlesden-Popper series by use of a tight-binding model. From the effect of spin-orbit coupling, we see that the relevant bands near the Fermi energy are indeed made of effective J=1/2 states. This spin-orbit separation of the bands creates effectively smaller bandwidth which can then be split via magnetic ordering driven by electronic correlations. By the use of a self-consistent mean-field theory, we derive the ordering for each of the three materials studied and show that the nature of the magnetic ordering is highly dependent on the lattice structure. The ordering in the bilayer Sr3Ir2O7, which has been a topic of debate in recent experimental studies, is understood within the current approach to be a collinear antiferromagnetic order, in agreement with the latest results.
Given that the iridate systems have large spin-orbit coupling, and that the topic of topological insulators has become a very popular subject of research, we discuss the proximity of the perovskite iridates to topological insulators. Since the SrIrO3 material displays a semimetal structure with nodal dispersion near the Fermi level, we looked at an extra term in the Hamiltonian that could lift the nodal lines and turn the system into an insulator. Further studies of the parity eigenvalues of the bands at each time reversal invariant momentum point confirms that for a range of this extra term, a topological phase can be achieved. A discussion on material realization of such a phase is also given where we suggest that a Sr2IrRhO6 superstructure might be a good candidate to achieve this state.
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