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arXiv · 1507.05704

Cooperative effects of lattice and spin-orbit coupling on the electronic structure of orthorhombic SrIrO3

Vijeta Singh·J. J. Pulikkotil
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Abstract

Orthorhombic SrIrO3 subjected to strain show tunable transport properties. With underlying symmetry remaining invariant, these properties are associated with IrO6 octahedral tilting. Adopting to first-principles methods, the effects of crystal field, spin-orbit coupling, and Coulomb correlations, on comparable interaction length scales, are discussed. While tilting induces a t2g-eg crystal-field splitting and band narrowing, spin-orbit coupling induces a partial splitting of the Jeff bands rendering SrIrO3 a semi-metallic ground state. The SOC enhanced hybridization of Ir-O orbitals, serve as a explanation to why the critical Hubbard correlation strength increases with increasing SOC strength in SrIrO3 to induce an insulating phase.

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Vijeta Singh, J. J. Pulikkotil. 2015-07-21. Cooperative effects of lattice and spin-orbit coupling on the electronic structure of orthorhombic SrIrO3. https://doi.org/10.1088/0953-8984/27/33/335502

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