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

Autor(en)

Bongjae Kim, Beom Hyun Kim, Kyoo Kim, B. I. Min

Abstrakt

We 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 J(eff) = 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.

Organisation(en)

Computergestützte Materialphysik

Externe Organisation(en)

Pohang University of Science and Technology (POSTECH), RIKEN

Journal

Scientific Reports

Band

6

Anzahl der Seiten

11

ISSN

2045-2322

DOI

https://doi.org/10.1038/srep27095

Publikationsdatum

06-2016

Peer-reviewed

Ja

ÖFOS 2012

103009 Festkörperphysik, 103015 Kondensierte Materie, 103025 Quantenmechanik, 103036 Theoretische Physik

Schlagwörter

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/65cafe06-4709-4302-9052-94f684fb7041