Theory of High T${}_c$ Ferrimagnetism in a Multi-orbital Mott Insulator

Abstract

We propose a model for the multi-orbital material Sr${}_2$CrOsO${}_6$ (SCOO), an insulator with remarkable magnetic properties and the highest $T_c\simeq 725$ K among {\em all} perovskites with a net moment. We derive a new criterion for the Mott transition $({\tilde{U}}_1{\tilde{U}}_2{)}^{1/2}>2.5W$ using slave rotor mean field theory, where $W$ is the bandwidth and ${\tilde{U}}_{1(2)}$ are the effective Coulomb interactions on Cr(Os) including Hund's coupling. We show that SCOO is a Mott insulator, where the large Cr ${\tilde{U}}_1$ compensates for the small Os ${\tilde{U}}_2$. The spin sector is described by a frustrated antiferromagnetic Heisenberg model that naturally explains the net moment arising from canting and also the observed non-monotonic magnetization $M(T)$. We predict characteristic magnetic structure factor peaks that can be probed by neutron experiments.

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• Design of a Mott Multiferroic from a Non-Magnetic Polar Metal
• Synthesis, Crystal Structure and Physical Properties of Sr2FeOsO6
• Theory of Half-Metallic Double Perovskites I: Double Exchange Mechanism
• Lattice-site-specific spin-dynamics in double perovskite Sr2CoOsO6
• Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6
• Effect of Chemical Pressure on High Temperature Ferrimagnetic Double Perovskites Sr2CrOsO6 and Ca2CrOsO6
• Ferrimagnetism in the double perovskite Ca2FeOsO6: a density functional study
• Theory of Half-Metallic Double Perovskites II: Effective Spin Hamiltonian and Disorder Effects
• First-principle study of octahedral tilting and Ferroelectric like transition in metallic LiOsO3
• Spin-orbit coupling controlled $J=3/2$ electronic ground state in 5$d^3$ oxides
• J-freezing and Hund's rules in spin-orbit-coupled multiorbital Hubbard models
• High antiferromagnetic transition temperature of a honeycomb compound SrRu${}_2$O${}_6$
• Spin-orbit coupling controlled ground state in Sr${}_2$ScOsO${}_6$
• Long-range magnetic interaction and frustration in double perovskite Sr${}_2$NiIrO${}_6$
• Understanding the Magnetic Puzzles of Double Perovskites A2FeOsO6 (A=Ca, Sr)
• Active role of the nonmagnetic cations in magnetic interactions for the double-perovskite Sr2BOsO6 (B=Y, In, Sc)
• Coupled topological flat and wide bands: Quasiparticle formation and destruction
• Evolution of the structural, magnetic and electronic properties of the triple perovskite Ba${}_3$CoIr${}_2$O${}_9$
• Alleviating the Sign Problem in Quantum Monte Carlo Simulations of Spin-Orbit-Coupled Multi-Orbital Hubbard Models
• Understanding ferromagnetism in Cr-based 3d-5d double perovskites
• Theory of magnetism in La${}_2$NiMnO${}_6$
• Effective Exchange Interactions for Bad Metals and Implications for Iron-based Superconductors
• Magnetic phase transitions in quantum spin-orbital liquids
• Re-t2g-splitting-driven semiconductor gaps in ferrimagnetic double perovskite Ca2MReO6 (M=Cr,Fe) from first principles
• Biaxial-stress driven tetragonal symmetry breaking in and high-temperature ferromagnetic semiconductor from half-metallic CrO2
• Neutron Scattering Investigation of Rhenium Orbital Ordering in $3d-5d$ Double Perovskite Ca${}_2$FeReO${}_6$
• Microscopic origin of pressure-induced isosymmetric transitions in fluoromanganate cryolites
• Resonant inelastic X-ray scattering investigation of Hund's and spin-orbit coupling in $5d^2$ double perovskites
• From Frustrated to Unfrustrated: Coupling two triangular-lattice itinerant Quantum Magnets
• Multipolar multiferroics in $4d^2$/$5d^2$ Mott insulators
• Low-energy electronic interactions in ferrimagnetic Sr2CrReO6 thin films
• Mott transition and correlation effects on strictly localized states in an octagonal quasicrystal