We present realistic multiband calculations of scanning tunneling spectra in Bi_{2}Sr_{2}CaCu_{2} O_{8+delta} over a wide doping range. Our modeling incorporates effects of a competing pseudogap and pairing gap as well as effects of strong electronic
correlations, which are included by introducing self-energy corrections in the one-particle propagators. The calculations provide a good description of the two-gap features seen in experiments at low energies and the evolution of the Van Hove singularity (VHS) with doping, and suggest a possible quantum critical point near the point where the VHS crosses the Fermi level.
We present a Greens function based framework for modeling the scanning tunneling spectrum from the normal as well as the superconducting state of complex materials where the nature of the tunneling process$-$ i.e. the effect of the tunneling matrix e
lement, is properly taken into account. The formalism is applied to the case of optimally doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+delta}$ (Bi2212) high-Tc superconductor using a large tight-binding basis set of electron and hole orbitals. The results show clearly that the spectrum is modified strongly by the effects of the tunneling matrix element and that it is not a simple replica of the local density of states (LDOS) of the Cu-$d_{x^2-y^2}$ orbitals with other orbitals playing a key role in shaping the spectra. We show how the spectrum can be decomposed usefully in terms of tunneling channels or paths through which the current flows from various orbitals in the system to the scanning tip. Such an analysis reveals symmetry forbidden and symmetry enhanced paths between the tip and the cuprate layers. Significant contributions arise from not only the CuO$_2$ layer closest to the tip, but also from the second CuO$_2$ layer. The spectrum also contains a longer range background reflecting the non-local nature of the underlying Bloch states. In the superconducting state, coherence peaks are found to be dominated by the anomalous components of Greens function.
We discuss how variations in the scanning tunneling microscope (STM) tip, whether unintentional or intentional, can lead to changes in topographic images and dI/dV spectra. We consider the possibility of utilizing functionalized tips in order to impr
ove the sensitivity of STM experiments to local irregularities at the surface or hidden below the surface layers. The change in the tip symmetry can radically alter the contrast of the topographic image due to changes in tip-surface overlap. The dI/dV curves change their shape according to which sample bands the tip orbital tends to overlap. In addition, relative phases between competing tunneling channels can be inverted by changing the tip symmetry, which could help reveal the origin of a local irregularity in tunneling spectrum.
We have developed a material specific theoretical framework for modelling scanning tunneling spectroscopy (STS) of high temperature superconducting materials in the normal as well as the superconducting state. Results for $Bi_2Sr_2CaCu_2O_{8+delta}$
(Bi2212) show clearly that the tunneling process strongly modifies the STS spectrum from the local density of states (LDOS) of the $d_{x^2-y^2}$ orbital of Cu. The dominant tunneling channel to the surface Bi involves the $d_{x^2-y^2}$ orbitals of the four neighbouring Cu atoms. In accord with experimental observations, the computed spectrum displays a remarkable asymmetry between the processes of electron injection and extraction, which arises from contributions of Cu $d_{z^2}$ and other orbitals to the tunneling current.
We analyze how the coherence peaks observed in Scanning Tunneling Spectroscopy (STS) of cuprate high temperature superconductors are transferred from the cuprate layer to the oxide layers adjacent to the STS microscope tip. For this purpose, we have
carried out a realistic multiband calculation for the superconducting state of Bi$_2$Sr$_2$CaCu$_2$O$_{8+delta}$ (Bi2212) assuming a short range d-wave pairing interaction confined to the nearest-neighbor Cu $d_{x^2-y^2}$ orbitals. The resulting anomalous matrix elements of the Greens function allow us to monitor how pairing is then induced not only within the cuprate bilayer but also within and across other layers and sites. The symmetry properties of the various anomalous matrix elements and the related selection rules are delineated.
