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Register a new userElectronic band structure of optimal superconductors: from cuprates to ferropnictides and back again
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A. A. Kordyuk
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While the beginning decade of the high-Tc cuprates era passed under domination of local theories, Abrikosov was one of the few who took seriously the electronic band structure of cuprates, stressing the importance of an extended Van Hove singularity near the Fermi level. These ideas have not been widely accepted that time mainly because of a lack of experimental evidence for correlation between saddle point position and superconductivity. In this short contribution, based on the detailed comparison of the electronic band structures of different families of cuprates and iron based superconductors I argue that a general mechanism of the Tc enhancement in all known high-Tc superconductors is likely related with the proximity of certain Van Hove singularities to the Fermi level. While this mechanism remains to be fully understood, one may conclude that it is not related with the electron density of states but likely with some kind of resonances caused by a proximity of the Fermi surface to topological Lifshitz transition. One may also notice that the electronic correlations often shifts the electronic bands to optimal for superconductivity positions.
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Based on first principles calculations, the electronic structure of CuTeO$_4$ is discussed in the context of superconducting cuprates. Despite some significant crystallographic differences, we find that CuTeO$_4$ is similar to these cuprates, exhibiting a quasi two dimensional electronic structure that involves hybridized Cu-$d$ and O-$p$ states in the vicinity of the Fermi level, along with an antiferromagnetic insulating ground state. Hole doping this material by substituting Te$^{6+}$ with Sb$^{5+}$ would be of significant interest.
Motivated by recent experiments on Al nanoparticles, we have studied the effects of fixed electron number and small size in nanoscale superconductors, by applying the canonical BCS theory for the attractive Hubbard model in two and three dimensions. A negative ``gap in particles with an odd number of electrons as observed in the experiments is obtained in our canonical scheme. For particles with an even number of electrons, the energy gap exhibits shell structure as a function of electron density or system size in the weak-coupling regime: the gap is particularly large for ``magic numbers of electrons for a given system size or of atoms for a fixed electron density. The grand canonical BCS method essentially misses this feature. Possible experimental methods for observing such shell effects are discussed.
The recently discovered cuprate superconductor Ba$_2$CuO$_{3+delta}$ exhibits a high $T_csimeq73$K at $deltasimeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different lattice parameters due to the CuO$_6$ octahedron compression. The crystal field in the compressed Ba$_2$CuO$_4$ leads to an inverted Cu $3d$ $e_g$ complex with the $d_{x^2-y^2}$ orbital sitting below the $d_{3z^2-r^2}$ and an electronic structure highly unusual compared to the conventional cuprates. We construct a two-orbital Hubbard model for the Cu $d^9$ state at hole doping $x=2delta$ and study the orbital-dependent strong correlation and superconductivity. For the undoped case at $x=0$, we found that strong correlation drives an orbital-polarized Mott insulating state with the spin-$1/2$ moment of the localized $d_{3z^2-r^2}$ orbital. In contrast to the single-band cuprates where superconductivity is suppressed in the overdoped regime, hole doping the two-orbital Mott insulator leads to orbital-dependent correlations and the robust spin and orbital exchange interactions produce a high-$T_c$ antiphase $d$-wave superconductor even in the heavily doped regime at $x=0.4$. We conjecture that Ba$_2$CuO$_{3+delta}$ realizes mixtures of such heavily hole-doped superconducting Ba$_2$CuO$_4$ and disordered Ba$_2$CuO$_{3}$ chains in a single-layer or predominately separated bilayer structure. Our findings suggest that unconventional cuprates with liberated orbitals as doped two-band Mott insulators can be a direction for realizing high-T$_c$ superconductivity with enhanced transition temperature $T_c$.
We present a phenomenological model that describes the low energy electronic structure of the cuprate high temperature superconductor Bi2Sr2CaCu2O8+x as observed by Spectroscopic Imagining Scanning Tunneling Microscopy (SI-STM). Our model is based on observations from Quasiparticle Interference (QPI) measurements and Local Density of States (LDOS) measurements that span a range of hole densities from critical doping, p~0.19, to extremely underdoped, p~0.06. The model presented below unifies the spectral density of states observed in QPI studies with that of the LDOS. In unifying these two separate measurements, we find that the previously reported phenomena, the Bogoliubov QPI termination, the checkerboard conductance modulations, and the pseudogap are associated with unique energy scales that have features present in both the q-space and LDOS(E) data sets.
The phenomenological Greens function developed in the works of Yang, Rice and Zhang has been very successful in understanding many of the anomalous superconducting properties of the deeply underdoped cuprates. It is based on considerations of the resonating valence bond spin liquid approximation and is designed to describe the underdoped regime of the cuprates. Here we emphasize the region of doping, $x$, just below the quantum critical point at which the pseudogap develops. In addition to Luttinger hole pockets centered around the nodal direction, there are electron pockets near the antinodes which are connected to the hole pockets by gapped bridging contours. We determine the contours of nearest approach as would be measured in angular resolved photoemission experiments and emphasize signatures of the Fermi surface reconstruction from the large Fermi contour of Fermi liquid theory (which contains $1+x$ hole states) to the Luttinger pocket (which contains $x$ hole states). We find that the quasiparticle effective mass renormalization increases strongly towards the edge of the Luttinger pockets beyond which it diverges.
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