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Nature Research, Scientific Reports, 1(6), 2016

DOI: 10.1038/srep27095

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Substrate-tuning of correlated spin-orbit oxides revealed by optical conductivity calculations

Journal article published in 2016 by Bongjae Kim ORCID, Beom Hyun Kim, Kyoo Kim, B. I. Min
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

AbstractWe have systematically investigated substrate-strain effects on the electronic structures of two representative Sr-iridates, a correlated-insulator Sr2IrO4 and a metal SrIrO3. Optical conductivities obtained by the ab initio electronic structure calculations reveal that the tensile strain shifts the optical peak positions to higher energy side with altered intensities, suggesting the enhancement of the electronic correlation and spin-orbit coupling (SOC) strength in Sr-iridates. The response of the electronic structure upon tensile strain is found to be highly correlated with the direction of magnetic moment, the octahedral connectivity, and the SOC strength, which cooperatively determine the robustness of Jeff = 1/2 ground states. Optical responses are analyzed also with microscopic model calculation and compared with corresponding experiments. In the case of SrIrO3, the evolution of the electronic structure near the Fermi level shows high tunability of hole bands, as suggested by previous experiments.