The $t$-$t'$-$t''$-$U$ Hubbard model and Fermi-level peak

Abstract

Using the strong coupling diagram technique, low-temperature spectral properties of the two-dimensional fermionic Hubbard model are con\-si\-de\-red for strong and moderate Hubbard repulsions $U$. The electron hopping to the nearest, second and third neighbors is taken into account with hopping constants $t$, $t'=-0.3t$ and $t''=0.2t$, respectively. The nonzero values of $t'$ and $t''$ lead to strong asymmetry in magnetic properties with respect to the hole and electron doping -- for $U=8t$ strong antiferromagnetic correlations are retained up to the electron concentration $\bar{n}\approx 1.25$, while they are destroyed completely at $\bar{n}\approx 0.87$. When the temperature is decreased to $T\lesssim 0.1t$, in a wide range of electron concentrations there appear narrow and intensive peaks at the Fermi level in densities of states. For $U\lesssim 6t$ the peaks are seen even at half-filling, while for larger $U$ they arise as the Fermi level leaves the Mott gap. The peaks are connected with a narrow band emerging at low temperatures. We identify states forming the band with spin-polaron excitations -- bound states of correlated electrons and mobile spin excitations. Obtained low-temperature spectral functions are used for interpreting the peak-dip-hump structure observed in the photoemission of Nd$_{2-x}$Ce$_x$CuO$_4$. In the case of hole doping, the calculated Fermi contour contains arcs near nodal points with pseudogaps near antinodal points, while for electron doping the spectral intensity is suppressed at hot spots, in agreement with experimental observations in cuprate perovskites.