On the possibility of excitonic magnetism in Ir double perovskites

2015/12/02 by Karel Pajskr, K. Pajskr, P. Novák +9 · 47 citations
Engineering · Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Condensed matter physics #Magnetic and transport properties of perovskites and related materials #Magnetism #Materials science #Perovskite Materials and Applications #Physics #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.93.035129

published in Physical review. B./Physical review. B 93(3) (American Physical Society) · 7 pages, 6 figures

arxiv created 2015/12/02 · openalex publication_date 2016/01/21 · arxiv updated 2016/01/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/08

Abstract

We combine several numerical and semianalytical methods to study the 5d double perovskites Sr₂YIrO₆ and Ba₂YIrO₆, which were recently proposed to exhibit excitonic magnetism. Starting from the density-functional theory and the constrained random-phase approximation, we construct effective multiband Hubbard models. These are analyzed by means of static and dynamical mean-field theories and strong-coupling expansion. We find both materials to be insulators, but, contrary to the experimental claims, with a large spin gap of several hundreds of meV preventing the formation of an ordered state at low temperature.

Citations

• Soft spin-amplitude fluctuations in a Mott-insulating ruthenate
• Generalized Gradient Approximation Made Simple
• Relation between the Anderson and Kondo Hamiltonians
• TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
• Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators

Cited by

• Excitonic magnetism at the intersection of spin-orbit coupling and crystal-field splitting