@article{12213,
  abstract     = {Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic, and magnetic properties of Sr2IrO4 using complementary theoretical tools: 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.},
  author       = {Paerschke, Ekaterina and Chen, Wei-Chih and Ray, Rajyavardhan and Chen, Cheng-Chien},
  issn         = {2397-4648},
  journal      = {npj Quantum Materials},
  keywords     = {Condensed Matter Physics, Electronic, Optical and Magnetic Materials},
  publisher    = {Springer Nature},
  title        = {{Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain}},
  doi          = {10.1038/s41535-022-00496-w},
  volume       = {7},
  year         = {2022},
}