Tuning the electronic properties of SrIrO<sub>3</sub> by epitaxial constraints
ORAL
Abstract
5d transition metal oxides provide an ideal playground where strong crystal field splitting encounters strong spin-orbit coupling. Here, using first principles density functional theory (DFT) calculations, we study the strain responses of the atomic structure and electronic properties in the correlated perovskite metal SrIrO3. We examine the proposed breakdown of the Jeff states using DFT calculations compared with available experimental data. We find that although DFT and DFT+U methods qualitatively reproduce the iridate band structure, these methods result in incorrect orbital projections, which lead to ambiguity of the Jeff picture. Our results suggest that epitaxial strain is a useful way for tailoring the 5d spin-orbit coupling in perovskite iridates.
*This work was supported by the Army Research Office under grant no. W911NF-15-1-0017.
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Presenters
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Danilo Puggioni
- Northwestern Univ
- Materials Science and Engineering, Northwestern University