2013/12/19 by Shreemoyee Ganguly, Oscar Grånäs, Ganguly, Shreemoyee +5
Earth and Planetary Sciences · Physics and Astronomy · #FOS: Physical sciences #High-pressure geophysics and materials #Materials Science (cond-mat.mtrl-sci) #Physics of Superconductivity and Magnetism #Rare-earth and actinide compounds #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.1312.5550
arxiv created 2013/12/19 · openalex publication_date 2013/12/19 · arxiv updated 2013/12/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Electronic structure calculations obtained with an approach with density functional theory with an enhanced local Coulomb interaction, DFT+U, are presented for the relativistic magnetic insulator Sr2IrO4. The results are in accordance with experiments with a band gap and a small moment anti-ferromagnetic ground state. This solution is thereafter thoroughly analyzed in terms of Landau theory where it is found that the ordered magnetic moments only form a secondary order parameter while the primary order parameter is a higher order magnetic multipole of rank five. It is further observed that the electronic structure in the presence of this order parameter is related to the earlier proposed jeff=1/2 model, but in contrast to that model the present picture can naturally explain the small magnitude of the ordered magnetic moments.