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Register a new userThe low-energy ARPES and heat capacity of Na$_{0.3}$CoO$_2$: A DMFT study
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The cobaltates have demonstrated a wide variety complex behavior. The Na rich region of the phase diagram displays various degrees of anomalous behavior, such as Curie-Weiss behavior near a band insulatorcite{Foo:2004}, charge disproportionationcite{Mukhamedshin:2005}, and non-Fermi-liquid behavior in the resistivitycite{Foo:2004}. Alternatively, the Na poor region of the phase diagram appears to be a Fermi-liquid. The magnetic susceptibility displays Pauli behavior, the resistivity is roughly quadratic at low temperaturescite{Foo:2004}, and the system appears to be homogeneouscite{Mukhamedshin:2005}. Therefore, the Na poor region of the phase diagram seems like a natural starting point to attempt to explain the ARPES experiments and heat capacity measurements from a quantitative standpoint.
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The superconducting-state heat capacity of Na$_{0.3}$CoO$_{2}$$cdot$1.3H$_{2}$O shows unusual, marked deviations from BCS theory, at all temperatures. At low temperatures the heat capacity has the $T^2$ dependence characteristic of line nodes in the energy gap, rather than the exponential temperature dependence of a fully gapped, conventional superconductor. At temperatures of the order of one fifth of the critical temperature and above, the deviations are strikingly similar to those of MgB$_2$, which are known to be a consequence of the existence of substantially different energy gaps on different sheets of the Fermi surface. A two-gap fit to the Na$_{0.3}$CoO$_{2}$$cdot$1.3H${_2}$O data gives gap amplitudes of 45% and 125% of the BCS value, on parts of the Fermi surface that contribute, respectively, 45% and 55% to the normal-state density of states. The temperature of the onset of the transition to the vortex state is independent of magnetic field, which shows the presence of unusually strong fluctuations.
Shubnikov de Haas oscillations for two well defined frequencies, corresponding respectively to areas of 0.8 and 1.36% of the first Brillouin zone (FBZ), were observed in single crystals of Na$_{0.3}$CoO$_2$. The existence of Na superstructures in Na$_{0.3}$CoO$_2$, coupled with this observation, suggests the possibility that the periods are due to the reconstruction of the large Fermi surface around the $Gamma$ point. An alternative interpretation in terms of the long sought-after $epsilon_g^prime$ pockets is also considered but found to be incompatible with existing specific heat data.
The BaNi$_2$As$_2$ compound is investigated using both the angle-resolved photoemission spectroscopy (ARPES) in a wide binding energy range and combined computational scheme of local density approximation together with dynamical mean-field theory (LDA+DMFT). For more realistic comparison of LDA+DMFT spectral functions with ARPES data we take into account several experimental features: the photoemission cross-section, the experimental energy and angular resolutions and the photo-hole lifetime effects. In contrast to isostructural iron arsenides the BaNi$_2$As$_2$ within LDA+DMFT appears to be weakly correlated (effective mass enhancement about $1.2$). This dramatic reduction of the correlation strength comes from the increase of 3d-orbital filling, when going from Fe to Ni, together with rather large bare Ni-3d LDA bandwidth. Nevertheless, even weakened electron correlations cause remarkable reconstruction of the bare BaNi$_2$As$_2$ LDA band structure and corresponding LDA+DMFT calculations provide better agreement with ARPES than just renormalized LDA results.
We propose a minimal model resolving a puzzle of enigmatic correlations observed in sodium-rich Na$_x$CoO$_2$ where one expects a simple, free motion of the dilute $S=1/2$ holes doped into a band insulator NaCoO$_2$. The model also predicts singlet superconductivity at experimentally observed compositions. The model is based on a key property of cobalt oxides -- the spin-state quasidegeneracy of CoO$_6$ octahedral complex -- leading to an unusual physics of, {it e.g.}, LaCoO$_3$. We show that correlated hopping between $t_{2g}$ and $e_g$ states leads to the spin-polaron physics at $xsim 1$, and to an extended s-wave pairing at larger doping when coherent fermionic bands are formed.
We studied the field dependent thermal conductivity ($kappa$) of Na$_2$Co$_2$TeO$_6$, a compound considered as the manifestation of the Kitaev model based on the high-spin $d^7$ Co$^{2+}$ ions. We found that in-plane magnetic fields beyond a critical value $B_c approx$~10 T are able to drastically enhance $kappa$ at low temperatures, resulting in a double-peak structure of $kappa(T)$ that closely resembles the behavior of $alpha$-RuCl$_3$. This result suggests that heat transport in Na$_2$Co$_2$TeO$_6$ is primarily phononic, and it is strongly affected by scattering from magnetic excitations that are highly tunable by external fields. Interestingly, for magnetic fields $B // a$ (i.e., along the zigzag direction of the Co-Co bonds), there is an extended field range which separates the long-range magnetic order for $Bleq B_capprox10$ T and the partially spin-polarized gapped high-field phase for $Bgtrsim 12$ T. The low-energy phonon scattering is particularly strong in this field range, consistent with the notion that the system becomes a quantum spin liquid with prominent spin fluctuations down to energies of no more than 2 meV.
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