Competing orders in Na$_x$CoO$_2$ from strong correlations on a two-particle level

TL;DR

This study uses dynamical mean-field theory and quantum Monte Carlo methods to analyze spin and charge susceptibilities in Na$_x$CoO$_2$, revealing competing orders and instabilities consistent with experimental observations.

Contribution

It demonstrates that a single-band Hubbard model captures key charge and spin instabilities in Na$_x$CoO$_2$ without needing complex doping-dependent potentials.

Findings

Identification of charge- and spin-instability tendencies

Verification of antiferromagnetic-to-ferromagnetic crossover

Discovery of a high-energy mode in transverse spin susceptibility

Abstract

Based on dynamical mean-field theory with a continuous-time quantum Monte-Carlo impurity solver, static as well as dynamic spin and charge susceptibilites for the phase diagram of the sodium cobaltate system Na$_x$CoO$_2$ are discussed. The approach includes important vertex contributions to the q-dependent two-particle response functions by means of a local approximation to the irreducible vertex function in the particle-hole channel. A single-band Hubbard model suffices to reveal several charge- and spin-instability tendencies in accordance with experiment, including the stabilization of an effective kagome sublattice close to x=0.67, without invoking the doping-dependent Na-potential landscape. The in-plane antiferromagnetic-to-ferromagnetic crossover is additionally verified by means of the computed Korringa ratio. Moreover an intricate high-energy mode in the transverse spin susceptiblity is revealed, pointing towards a strong energy dependence of the effective intersite exchange.