Itinerant in-plane magnetic fluctuations and many-body correlations in Na${}_x$CoO${}_2$

Abstract

Based on the {\it ab-initio} band structure for Na${}_x$CoO${}_2$ we derive the single-electron energies and the effective tight-binding description for the $t_{2g}$ bands using projection procedure. Due to the presence of the next-nearest-neighbor hoppings a local minimum in the electronic dispersion close to the $\Gamma$ point of the first Brillouin zone forms. Correspondingly, in addition to a large Fermi surface an electron pocket close to the $\Gamma$ point emerges at high doping concentrations. The latter yields the new scattering channel resulting in a peak structure of the itinerant magnetic susceptibility at small momenta. This indicates dominant itinerant in-plane ferromagnetic fluctuations above certain critical concentration $x_m$, in agreement with neutron scattering data. Below $x_m$ the magnetic susceptibility shows a tendency towards the antiferromagnetic fluctuations. We further analyze the many-body effects on the electronic and magnetic excitations using various approximations applicable for different $U/t$ ratio.

10 pages

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Cited by in corpus (10)

• Spin correlations and cobalt charge states: A new phase diagram of sodium cobaltates
• Phase Diagram of Na${}_x$CoO${}_2$ Studied by Gutzwiller Density Functional Theory
• Precise Control of Band Filling in NaxCoO2
• Magnetic fluctuations and specific heat in NaxCoO2 near a Lifshitz topological transition
• Itinerant and localized magnetism on the triangular lattice: sodium rich phases of Na${}_x$CoO${}_2$
• Enhanced Seebeck coefficient by a filling-induced Lifshitz transition in KxRhO2
• Electron-phonon interaction in the lamellar cobaltate Na${}_x$CoO${}_2$
• From Hubbard bands to spin-polaron excitations in the doped Mott material Na${}_x$CoO${}_2$
• Origin of the electron disproportionation in the metallic sodium cobaltates
• Dynamical magnetic susceptibility in the lamellar cobaltate superconductor Na_xCoO_2$\cdot y$H_2O