Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: a dynamical mean field study

Abstract

We present density functional plus dynamical mean field studies of cubic BaRuO${}_3$ using interaction parameters previously found to be appropriate for the related materials CaRuO${}_3$ and SrRuO${}_3$. The calculated variation in transition temperature between the Ba and Sr compounds is consistent with experiment, confirming the assignment of the compounds to the Hund's metal family of materials, and also confirming the appropriateness of the values for the interaction parameters previously estimated and the appropriateness of the single-site dynamical mean field approximation for these materials. The results provide insights into the origin of magnetism and the role of the van Hove singularity in the physics of Hund's metals.

References in corpus (6)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Strong electronic correlations from Hund's coupling
• The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
• Electronic correlations, magnetism and Hund's rule coupling in the ruthenium perovskites SrRuO${}_3$ and CaRuO${}_3$
• Antiferromagnetism and the gap of a Mott insulator: Results from analytic continuation of the self-energy
• A route to room temperature ferromagnetic ultrathin SrRuO${}_3$ films

Cited by in corpus (22)

• Local magnetic moments in iron and nickel at ambient and Earth's core conditions
• Spin-Orbit Coupling and Electronic Correlations in Sr2RuO4
• Coulomb Correlations in 4d and 5d Oxides from First Principles - or How Spin-Orbit Materials choose their Effective Orbital Degeneracies
• Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca${}_2$RuO${}_4$
• Materials challenges for SrRuO3: from conventional to quantum electronics
• Strain Tuning of Plasma Frequency in Vanadate, Niobate, and Molybdate Perovskite Oxides
• Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund's Physics
• Interplay between spin-orbit coupling and van Hove singularity in the Hund's metallicity of Sr${}_2$RuO${}_4$
• Dynamical mean-field study of Vanadium diselenide monolayer ferromagnetism
• BaOsO${}_3$: A Hund's metal in the presence of strong spin-orbit coupling
• Magnetic ground state of SrRuO${}_3$ thin film and applicability of standard first-principles approximations to metallic magnetism
• Spin-orbit and anisotropic strain effects on the electronic correlations of Sr${}_2$RuO${}_4$
• Interplay between band structure and Hund's correlation to increase T${}_c$ in FeSe
• Metal-Insulator and Magnetic Phase Diagram of Ca${}_2$RuO${}_4$ from Auxiliary Field Quantum Monte Carlo and Dynamical Mean Field Theory
• Electronic correlations in the semiconducting half-Heusler compound FeVSb
• Electronic structure correspondence of singlet-triplet scale separation in strained Sr2RuO4
• Fully filling-controlled pyrochlore ruthenates: emergent ferromagnetic-metal state and geometrical Hall effect
• Effect of geometry on magnetism of Hund's metals: A case study with BaRuO${}_3$
• Spatial inhomogeneity and the metal-insulator transition in Ca${}_3$(Ru${}_{1-x}$Ti${}_x$)${}_2$O${}_7$
• The Iso-electronic Series $C{a}_{2-x}S{r}_{x}Ru{O}_4$: Structural Distortion, Effective Dimensionality, Spin Fluctuations and Quantum Criticality
• Low-dimensionality-induced tunable ferromagnetism in SrRuO${}_3$ ultrathin films
• Strong effects of thermally induced low-spin-to-high-spin crossover on transport properties of correlated metals