Evolution of electronic and magnetic properties of Sr$\mathbf{_2}$IrO$\mathbf{_4}$ under strain

Ekaterina M. Parschke; Wei-Chih Chen; Rajyavardhan Ray; Cheng-Chien Chen

doi:10.1038/s41535-022-00496-w

paper

Evolution of electronic and magnetic properties of Sr $_{2}$ IrO $_{4}$ under strain

arXiv:2209.07573 · doi:10.1038/s41535-022-00496-w

Abstract

Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic and magnetic properties of Sr $_{2}$ IrO $_{4}$ using complementary theoretical tools: {\it ab-initio} calculations, analytical approaches (rigid octahedra picture, Slater-Koster integrals), and extended $t - J$ model. We find that strain affects both Ir-Ir distance and Ir-O-Ir angle, and the rigid octahedra picture is not relevant. Second, we find fundamentally different behavior for compressive and tensile strain. One remarkable feature is the formation of two subsets of bond- and orbital- dependent carriers, a compass-like model, under compression. This originates from the strain-induced renormalization of the Ir-O-Ir superexchange and O on-site energy. We also show that under compressive (tensile) strain, Fermi surface becomes highly dispersive (relatively flat). Already at a tensile strain of $1.5%$ , we observe spectral weight redistribution, with the low-energy band acquiring almost purely singlet character. These results can be directly compared with future experiments.

arXiv comment28 pages, 6 figures, includes Supplemental Information

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Strain-induced superconductivity in Sr2IrO4

Evolution of electronic and magnetic properties of Sr2​IrO4​ under strain

Abstract

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Cited by in corpus (1)

Evolution of electronic and magnetic properties of Sr $_{2}$ IrO $_{4}$ under strain