Universality of scanning tunneling microscopy in cuprate superconductors

We consider the problem of local tunneling into cuprate superconductors, combining model based calculations for the superconducting order parameter with wavefunction information obtained from first principles electronic structure. For some time it has been proposed that scanning tunneling microscopy (STM) spectra do not reflect the properties of the superconducting layer in the CuO$_2$ plane directly beneath the STM tip, but rather a weighted sum of spatially proximate states determined by the details of the tunneling process. These "filter" ideas have been countered with the argument that similar conductance patterns have been seen around impurities and charge ordered states in systems with atomically quite different barrier layers. Here we use a recently developed Wannier function based method to calculate topographies, spectra, conductance maps and normalized conductance maps close to impurities. We find that it is the local planar Cu $d_{x^2-y^2}$ Wannier function, qualitatively similar for many systems, that controls the form of the tunneling spectrum and the spatial patterns near perturbations. We explain how, despite the fact that STM observables depend on the materials-specific details of the tunneling process and setup parameters, there is an overall universality in the qualitative features of conductance spectra. In particular, we discuss why STM results on Bi$_2$Sr$_2$CaCu$_2$O$_8$ and Ca$_{2-x}$Na$_x$CuO$_2$Cl$_2$ are essentially identical

Interpretation of scanning tunneling quasiparticle interference and impurity states in cuprates

We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov-de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed images of Zn on the surface of Bi$_2$Sr$_2$CaCu$_2$O$_8$ can only be understood by accounting for the tails of the Cu Wannier functions, which include significant weight on apical O sites in neighboring unit cells. This calculation thus puts earlier crude "filter" theories on a microscopic foundation and solves a long standing puzzle. We then study quasiparticle interference phenomena induced by out-of-plane weak potential scatterers, and show how patterns long observed in cuprates can be understood in terms of the interference of Wannier functions above the surface. Our results show excellent agreement with experiment and enable a better understanding of novel phenomena in the cuprates via STM imaging.Comment: 5 pages, 5 figures, published version (Supplemental Material: 5 pages, 11 figures) for associated video file, see http://itp.uni-frankfurt.de/~kreisel/QPI_BSCCO_BdG_p_W.mp

Atomic-scale Electronic Structure of the Cuprate Pair Density Wave State Coexisting with Superconductivity

The defining characteristic of hole-doped cuprates is $d$-wave high temperature superconductivity. However, intense theoretical interest is now focused on whether a pair density wave state (PDW) could coexist with cuprate superconductivity (D. F. Agterberg et al., Annual Review of Condensed Matter Physics 11, 231 (2020)). Here, we use a strong-coupling mean-field theory of cuprates, to model the atomic-scale electronic structure of an eight-unit-cell periodic, $d$-symmetry form factor, pair density wave (PDW) state coexisting with $d$-wave superconductivity (DSC). From this PDW+DSC model, the atomically-resolved density of Bogoliubov quasiparticle states N(r,E) is predicted at the terminal BiO surface of Bi$_2$Sr$_2$CaCu$_2$O$_8$ and compared with high-precision electronic visualization experiments using spectroscopic imaging STM. The PDW+DSC model predictions include the intra-unit-cell structure and periodic modulations of N(r,E), the modulations of the coherence peak energy $\Delta_p$ (r), and the characteristics of Bogoliubov quasiparticle interference in scattering-wavevector space (q-space). Consistency between all these predictions and the corresponding experiments indicates that lightly hole-doped Bi$_2$Sr$_2$CaCu$_2$O$_8$ does contain a PDW+DSC state. Moreover, in the model the PDW+DSC state becomes unstable to a pure DSC state at a critical hole density p*, with empirically equivalent phenomena occurring in the experiments. All these results are consistent with a picture in which the cuprate translational symmetry breaking state is a PDW, the observed charge modulations are its consequence, the antinodal pseudogap is that of the PDW state, and the cuprate critical point at p* ~ 19% occurs due to disappearance of this PDW