Cooperative Interactions Govern the Fermiology of the Polar Metal Ca${}_3$Ru${}_2$O${}_7$

Abstract

The antiferromagnetic Ruddlesden-Popper ruthenate Ca${}_3$Ru${}_2$O${}_7$ is a model polar metal, combining inversion symmetry breaking with metallic conductivity; however, its low temperature ($T<48$ K) crystal structure and Fermi surface topology remain ambiguous despite numerous measurements and theoretical studies. Here we perform both first principles calculations with static correlations and angle resolved photoelectron spectroscopy experiments to construct a complete model of Ca${}_3$Ru${}_2$O${}_7$, reconciling inconsistencies among interpretations of electrical transport, thermopower measurements, and momentum- and energy-resolved band dispersions. The solution relies on treating the interplay among Coulomb repulsion, magnetic ordering, spin-orbit interactions, and the RuO${}_6$ octahedral degrees-of-freedom on equal footing. For temperatures $30<T<48$ K, we propose weak electron-electron interactions produce a symmetry-preserving metal-semimetal transition with Weyl nodes in proximity to the Fermi level, whereas a new orthorhombic $Pn{2}_{1}a$ structure emerges for $T<30$ K, exhibiting charge and spin density waves from enhanced Coulombic interactions.

arXiv comment8 pages, 5 figures

References in corpus (13)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy
• Lattice normal modes and electronic properties of the correlated metal LaNiO${}_3$
• Hallmarks of Hund's coupling in the Mott insulator Ca${}_2$RuO${}_4$
• Signatures of the Mott transition in the antiferromagnetic state of the two-dimensional Hubbard model
• Colossal Magnetoresistance by Avoiding a Ferromagnetic State in the Mott System Ca3Ru2O7
• Spin-Orbital Excitations in Ca${}_2$RuO${}_4$ Revealed by Resonant Inelastic X-ray Scattering
• Orbitally-driven Behavior: Mott Transition, Quantum Oscillations and Colossal Magnetoresistance in Bilayered Ca3Ru2O7
• Variational cluster approach to thermodynamic properties of interacting fermions at finite temperatures: A case study of the two-dimensional single-band Hubbard model at half filling
• Existence of electron and hole pockets and partial gap opening in the correlated semimetal Ca3Ru2O7
• Ultrafast quasiparticle dynamics in correlated semimetal Ca${}_3$Ru${}_2$O${}_7$
• Magnetic Multipoles in a Ruthenate Ca3Ru2O7

Cited by in corpus (13)

• Polar Metals Taxonomy for Materials Classification and Discovery
• Hybrid d/p-wave altermagnetism in Ca${}_3$Ru${}_2$O${}_7$ and strain-controlled spin splitting
• Altermagnetism in Two Dimensional Ca${}_2$RuO${}_4$ Perovskite
• Spontaneous cycloidal order mediating a spin-reorientation transition in a polar metal
• Resonant Inelastic X-ray Scattering Study of Ca${}_3$Ru${}_2$O${}_7$
• Thermodynamic and electron-transport properties of Ca3Ru2O7 from first-principles phonon calculations and Boltzmann transport theory
• Strain control of a bandwidth-driven spin reorientation in Ca${}_3$Ru${}_2$O${}_7$
• Two-carrier Magnetoresistance: Applications to Ca${}_3$Ru${}_2$O${}_7$
• Spatial inhomogeneity and the metal-insulator transition in Ca${}_3$(Ru${}_{1-x}$Ti${}_x$)${}_2$O${}_7$
• Nonlinear Transport Signatures of Hidden Symmetry Breaking in a Weyl Altermagnet
• Evidence for bootstrap percolation dynamics in a photo-induced phase transition
• Probing Hidden Symmetry and Altermagnetism with Sub-Picometer Sensitivity via Nonlinear Transport
• A simplified method characterizing magnetic ordering modulated photo-thermoelectric response in noncentrosymmetric semimetal Ca3Ru2O7