Electronic Structure and Magnetism of the Triple-layered Ruthenate Sr${}_4$Ru${}_3$O${}_{10}$

Abstract

We report electronic band structure calculations for Sr${}_4$Ru${}_3$O${}_{10}$ that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find the ground state to be ferromagnetic in agreement with the experiment and we find that the inclusion of Coulomb Hubbard interaction U applied to the Ru 4d states has dramatic effects on the Fermi surface, which reveal the role of Coulomb interactions and correlated many-body physics. The minority spin bands are mainly empty with Fermi surfaces in the outer areas of the Brillouin zone away from the $\Gamma$ point with bands that disperse steeply upward. The majority spin bands are full or nearly fully occupied and form narrow bands near the Fermi energy around the $\Gamma$ point, which could be the electronic origin of the metamagnetism. The results are in qualitative agreement with recent angle resolved photoemission spectroscopy (ARPES) experiments and show the need for a combined theoretical study and experimental ARPES investigation with better energy resolution to reveal the nature of the narrow bands close to the Fermi-level, which is critical for understanding the exotic magnetic properties observed in this material.

References in corpus (35)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Spintronics: Fundamentals and applications
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• Time-Reversal Symmetry Breaking Superconductivity in Sr2RuO4
• Half-metallic ferromagnets: From band structure to many-body effects
• Transport Properties, Thermodynamic Properties, and Electronic Structure of SrRuO3
• Formation of a Nematic Fluid at High Fields in Sr3Ru2O7
• Theory of spin-orbit coupling at LaAlO3/SrTiO3 interfaces and SrTiO3 surfaces
• Fermi Surface, Surface States, and Surface Reconstruction in Sr2RuO4
• The ground state of Sr3Ru2O7 revisited; Fermi liquid close to a ferromagnetic instability
• Strong spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4
• High-resolution photoemission on Sr2RuO4 reveals correlation-enhanced effective spin-orbit coupling and dominantly local self-energies
• Photoemission Quasi-Particle Spectra of Sr${}_2$RuO${}_4$
• Quasiparticle Mass Enhancement and Temperature Dependence of the Electronic Structure of Ferromagnetic SrRuO3 Thin Films
• Fermi surface and van Hove singularities in the itinerant metamagnet Sr3Ru2O7
• Electronic Structure and Fermiology of Sr${}_3$Ru${}_2$O${}_7$
• Electronic correlations, magnetism and Hund's rule coupling in the ruthenium perovskites SrRuO${}_3$ and CaRuO${}_3$
• Competing Ground States in Triple-layered Sr4Ru3O10: Verging on Itinerant Ferromagnetism with Critical Fluctuations
• Metamagnetism of itinerant electrons in multi-layer ruthenates
• Evidence for strong electronic correlations in the spectra of Sr${}_2$RuO${}_4$
• Heavy d-Electron Quasiparticle Interference and Real-space Electronic Structure of Sr3Ru2O7
• First-principles study of the lattice dynamical properties of strontium ruthenate
• Electronic structure, cohesive properties and magnetism of SrRuO${}_3$; a theoretical investigation
• Formation and consequences of heavy d-electron quasiparticles in Sr3Ru2O7
• Orbital-dependent metamagnetic response in Sr4Ru3O10
• Half-metallic ferromagnetism in Sr${}_3$Ru${}_2$O${}_7$
• Inelastic Electron Tunneling Spectroscopy at High-Temperatures
• Missing magnetism in Sr${}_4$Ru${}_3$O${}_{10}$: Indication for Antisymmetric Exchange Interaction
• Competing magnetic orders in quantum critical Sr${}_3$Ru${}_2$O${}_7$
• Fermi surface and kink structures in Sr${}_4$Ru${}_3$O${}_{10}$ revealed by synchrotron-based ARPES
• Electronic band structure of (111) $SrRu{O}_3$ thin film$-$an angle-resolved photoemission spectroscopy study
• Anomalous orbital moment in the ferromagnetic phase of the Sr4Ru3O10

Cited by in corpus (4)

• Spin-orbit coupling induced Van Hove singularity in proximity to a Lifshitz transition in Sr${}_4$Ru${}_3$O${}_{10}$
• Emergent exchange-driven giant magnetoelastic coupling in a correlated itinerant ferromagnet
• Evolution of Interorbital Superconductor to Intraorbital Spin-Density Wave in Layered Ruthenates
• Layer-dependent spin-resolved electronic structure of ferromagnetic triple-layered ruthenate Sr${}_4$Ru${}_3$O${}_{10}$