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We study the transport properties of underdoped trilayer cuprate HgBa$_2$Ca$_2$Cu$_3$O$_{8+ \delta}$ with doping level $p$ = 0.1 - 0.12 in magnetic field up to 88 T. We report for the first time in a cuprate superconductor a dramatic change of the quantum oscillation spectrum versus temperature, which is accompanied by a sign change of the Hall effect below $T \approx$ 10 K. Based on numerical simulations, we infer a Fermi surface reconstruction in the inner plane from an antiferromagnetic state (hole pockets) to a biaxial charge density wave state (electron pockets). We show that both orders compete and share the same hotspots of the Fermi surface and we discuss our result in the context of spin-fermion models., Comment: Main + Supplemental Information

Domain wall morphologies in ferroelectrics are believed to be largely shaped by electrostatic forces. Here, we show that for conducting domain walls, the morphology also depends on the details of the charge-carrier band structure. For concreteness, we focus on transition-metal perovskites like BaTiO$_3$ and SrTiO$_3$. These have a triplet of $t_{2g}$ orbitals attached to the Ti atoms that form the conduction bands when electron doped. We solve a set of coupled equations -- Landau-Ginzburg-Devonshire (LGD) equations for the polarization, tight-binding Schr\"odinger equations for the electron bands, and Gauss' law for the electric potential -- to obtain polarization and electron density profiles as a function of electron density. We find that at low electron densities, the electron gas is pinned to the surfaces of the ferroelectric by a Kittel-like domain structure. As the electron density increases, the domain wall evolves smoothly through a zigzag head-to-head structure, eventually becoming a flat head-to-head domain wall at high density. We find that the Kittel-like morphology is protected by orbital asymmetry at low electron densities, while at large electron densities the high density of states of the multiorbital band structure provides effective screening of depolarizing fields and flattens the domain wall relative to single-orbital models. Finally, we show that in the zigzag phase, the electron gas develops tails that extend away from the domain wall, in contrast to na\"{i}ve expectations., Comment: 17 pages, 13 figures

Theoretical studies of disordered $d$-wave superconductors have focused, with a few exceptions, on optimally doped models with strong scatterers. Addressing recent controversies about the nature of the overdoped cuprates, however, requires studies of the weaker scattering associated with dopant atoms. Here we study simple models of such systems in the self-consistent Bogoliubov-de Gennes (BdG) framework, and compare to disorder-averaged results using the self-consistent-T-matrix-approximation (SCTMA). Despite surprisingly linear in energy behavior of the low-energy density of states even for quite disordered systems, the superfluid density in such cases retains a quadratic low-temperature variation of the penetration depth, unlike other BdG results reported recently. We trace the discrepancy to smaller effective system size employed in that work. Overall, the SCTMA performs remarkably well, with the exception of highly disordered systems with strongly suppressed superfluid density. We explore this interesting region where gap inhomogeneity dominates measured superconducting properties, and compare with overdoped cuprates., Comment: 12 pages, 9 figures

To minimize their electrostatic energy, insulating ferroelectric films tend to break up into nanoscale ``Kittel'' domains of opposite polarization that are separated by uncharged 180$^\circ$ domain walls. Here, I report on self-consistent solutions of coupled Landau-Ginzburg-Devonshire and Schr\"odinger equations for an electron-doped ferroelectric thin film. The model is based on LaAlO$_3$/SrTiO$_3$ interfaces in which the SrTiO$_3$ substrate is made ferroelectric by cation substitution or strain. I find that electron doping destabilizes the Kittel domains. As the two-dimensional electron density $n_\mathrm{2D}$ increases, there is a smooth crossover to a zigzag domain wall configuration. The domain wall is positively charged, but is compensated by the electron gas, which attaches itself to the domain wall and screens depolarizing fields. The domain wall approaches a flat head-to-head configuration in the limit of perfect screening. The polarization profile may be manipulated by an external bias voltage and the electron gas may be switched between surfaces of the ferroelectric film.

With the recent experimental verification that ferroelectric lattice distortions survive in the metallic phase of some materials, there is a desire to create devices that are both switchable and take advantage of the novel functionalities afforded by polar interfaces. In this work, we explore a simple model for such an interface and demonstrate a mechanism by which a metallic ferroelectric substrate may be switched by a bias voltage. This finding is in contrast to the reasonable expectation that hysteresis is prevented by screening of external fields in ferroelectric metals. Instead, the electron gas binds to polarization gradients to form a compensated state. Uncompensated electrons, which may screen external fields, are generated either when the electron density exceeds the ferroelectric polarization or when the bias voltage exceeds a "spillover" threshold. We propose that switchable thin films may be optimized by choosing an electron density that is slightly less than the lattice polarization. In addition to the high-polarization states, we find that thin metallic films also have a low-polarization state with average polarization near zero. Unlike in insulating films, where the polarization is small everywhere in this state, the low-polarization state in the metallic films consists of two head-to-head domains of opposite polarization. This domain formation is enabled by the screening of depolarizing fields by the electron gas., Comment: 14 pages, 9 figures

New developments in scanning tunneling spectroscopy now allow for the spatially resolved measurement of the Josephson critical current $I_c$ between a tip and a superconducting sample, a nearly direct measurement of the true superconducting order parameter. However, it is unclear how these $I_c$ measurements are correlated with previous estimates of the spectral gap taken from differential conductance measurements. In particular, recent such experiments on an iron-based superconductor found almost no correlation between $I_c$ and the spectral gap obtained from differential conductance $g=dI/dV$ spectra, reporting instead a more significant correlation between $I_c$ and the the coherence-peak height. Here we point out that the correlation--or the lack thereof--between these various quantities can be naturally explained by the effect of disorder on unconventional superconductivity. Using large scale numerical simulations of a BCS $d$-wave pair Hamiltonian with many-impurity potentials, we observe that "substitutional" disorder models with weak pointlike impurities lead to a situation in which the true superconducting order parameter and $I_c$ are both uncorrelated with the spectral gap from $dI/dV$ measurements and highly correlated with the coherence-peak heights. The underlying mechanism appears to be the disorder-induced transfer of spectral weight away from the coherence peaks. On the other hand, smooth impurity potentials with a length scale larger than the lattice constant lead to a large positive correlation between the true superconducting order parameter and the spectral gap, in addition to a large correlation between the order parameter and the coherence-peak height. We discuss the applicability of our results to recent Josephson scanning tunneling spectroscopy experiments on iron-based and cuprate high-temperature superconductors., Comment: 15 pages, 16 figures, published version, includes minor changes

We describe a mechanism by which the longitudinal thermal conductivity $\kappa_{xx}$, measured in an in-plane magnetic field, oscillates as a function of field angle in layered nodal superconductors. These oscillations occur when the spin-orbit splitting at the nodes is larger than the nodal scattering rate, and are complementary to vortex-induced oscillations identified previously. In sufficiently anisotropic materials, the spin-orbit mechanism may be dominant. As a particular application, we focus on the cuprate high-temperature superconductor YBa$_2$Cu$_3$O$_{6+x}$. This material belongs to the class of Rashba bilayers, in which individual CuO$_2$ layers lack inversion symmetry although the crystal itself is globally centrosymmetric. We show that spin-orbit coupling endows $\kappa_{xx}/T$ with a characteristic dependence on magnetic field angle that should be easily detected experimentally, and argue that for underdoped samples the spin-orbit contribution is larger than the vortex contribution. A key advantage of the magneto-thermal conductivity is that it is a bulk probe of spin-orbit physics, and therefore not sensitive to inversion breaking at surfaces.

Charge-density wave (CDW) modulations in underdoped high-temperature cuprate superconductors remain a central puzzle in condensed matter physics. However, despite a substantial experimental verification of this ubiquitous phase in a large class of high $T_{\mathrm{c}}$ cuprates, a complete theoretical explanation of this phase is still missing. Here, we build upon our recent proposal that the CDW in underdoped cuprates (Y- and Bi- based compounds) emerges from a unique cooperation of the B$_{1g}$ bond-buckling phonon with strong electronic correlations. We assume a static mean-field lattice distortion with B$_{1g}$ symmetry, regardless of its origin, with a commensurate wave vector $\mathbf{q}^*=(2\pi/3,0)/(0,2\pi/3)$. We show that such a phonon-induced CDW (both uni- and bi-axial) reconstructs the Fermi surface, leading to electron and hole pockets, with relevant quantum oscillation frequencies in close consistency with the experiments. Furthermore, a systematic analysis of the symmetry of the intra-unit-cell charge modulations on the copper-oxygen planes is provided. We find that the atomic charge modulation on the CuO$_2$ unit cell is predominantly of $s$-wave character -- in support of the recent experimental observation., Comment: 11 pages, 7 Figures (minor TeX file edit)

Each unit cell in YBa$_2$Cu$_3$O$_{6+x}$ contains a pair of two-dimensional CuO$_2$ layers. While the crystal structure is globally inversion symmetric, the individual layers are not. This leads, necessarily, to a nonvanishing Rashba spin-orbit coupling (SOC) in the CuO$_2$ layers, with opposite signs of the coupling constant in each layer. These so-called Rashba bilayers generate hidden spin textures, with a vansishing net spin at each $k$-point in the Brillouin zone, but nonvanishing spin textures in each layer separately. Here, we trace the microscopic origin of the Rashba splitting through the orbital structure of the CuO$_2$ conduction bands, obtain a generic three-orbital model Hamiltonian, and show that the magnitude of the spin-splitting predicted by density functional theory is $\sim 10$~meV.

Charge-density wave order is now understood to be a widespread feature of underdoped cuprate high-temperature superconductors, although its origins remain unclear. While experiments suggest that the charge-ordering wavevector is determined by Fermi-surface nesting, the relevant sections of the Fermi surface are featureless and provide no clue as to the underlying mechanism. Here, focusing on underdoped YBa$_2$Cu$_3$O$_{6+x}$, we propose a scenario that traces the charge-density wave formation to the incipient softening of a bond-buckling phonon. The momentum dependence of its coupling to the electrons in the copper-oxygen planes favourably selects the incommensurate and axial ordering wavevector found in experiments. But, it requires strong electronic correlations via their cuprate-specific renormalization of the weight and the dispersion of quasiparticles to enable a unique enhancement of the charge susceptibility near the B$_{1g}$-phonon selected wavevector. The frequency of the B$_{1g}$ phonon softens by a few percent, and a lattice instability with concomitant finite-range charge-density wave correlations will form locally, if nucleated by defects or dopant disorder. These results offer the perspective that the complex phase diagram of underdoped cuprates cannot be understood in the context of strong electronic correlations alone., Comment: 20 pages, 5 figures and supplemental materials

The transverse Ising model (TIM), with pseudospins representing the lattice polarization, is often used as a simple description of ferroelectric materials. However, we demonstrate that the TIM, as it is usually formulated, provides an incorrect description of SrTiO$_{3}$ films and interfaces because of its inadequate treatment of spatial inhomogeneity. We correct this deficiency by adding a pseudospin anisotropy to the model. We demonstrate the physical need for this term by comparison of the TIM to a typical Landau-Ginzburg-Devonshire model. We then demonstrate the physical consequences of the modification for two model systems: a ferroelectric thin film, and a metallic LaAlO$_{3}$/SrTiO$_{3}$ interface. We show that, in both cases, the modified TIM has a substantially different polarization profile than the conventional TIM. In particular, at low temperatures the formation of quantized states at LaAlO$_{3}$/SrTiO$_{3}$ interfaces only occurs in the modified TIM., Comment: 22 pages, 8 figures

Multiple experiments have observed a sharp transition in the band structure of LaAlO$_3$/SrTiO$_3$ (001) interfaces as a function of applied gate voltage. This Lifshitz transition, between a single occupied band at low electron density and multiple occupied bands at high density, is remarkable for its abruptness. In this work, we propose a mechanism by which such a transition might happen. We show via numerical modeling that the simultaneous coupling of the dielectric polarization to the interfacial strain ("electrostrictive coupling") and strain gradient ("flexoelectric coupling") generates a thin polarized layer whose direction reverses at a critical density. The Lifshitz transition occurs concomitantly with the polarization reversal and is first-order at $T=0$. A secondary Lifshitz transition, in which electrons spread out into semiclassical tails, occurs at a higher density.

Using a mix of numerical and analytic methods, we show that recent NMR $^{17}$O measurements provide detailed information about the structure of the charge-density wave (CDW) phase in underdoped YBa$_2$Cu$_3$O$_{6+x}$. We perform Bogoliubov-de Gennes (BdG) calculations of both the local density of states and the orbitally resolved charge density, which are closely related to the magnetic and electric quadrupole contributions to the NMR spectrum, using a microscopic model that was shown previously to agree closely with x-ray experiments. The BdG results reproduce qualitative features of the experimental spectrum extremely well. These results are interpreted in terms of a generic "hotspot" model that allows one to trace the origins of the NMR lineshapes. We find that four quantities---the orbital character of the Fermi surface at the hotspots, the Fermi surface curvature at the hotspots, the CDW correlation length, and the magnitude of the subdominant CDW component---are key in determining the lineshapes.

We study a model SrTiO$_3$ interface in which conduction $t_{2g}$ electrons couple to the ferroelectric (FE) phonon mode. We treat the FE mode within a self-consistent phonon theory that captures its quantum critical behavior, and show that proximity to the quantum critical point leads to universal tails in the electron density of the form $n(z) \sim (\lambda+z)^{-2}$, where $\lambda \sim T^{2-d/\mathfrak{z}}$, with $d=3$ the dimensionality and $\mathfrak{z}=1$ the dynamical critical exponent. Implications for the metal-insulator transition at low electron density are discussed.

We build a theoretical model for the electronic properties of the two-dimensional (2D) electron gas that forms at the interface between insulating SrTiO$_3$ and a number of polar cap layers, including LaTiO$_3$, LaAlO$_3$, and GdTiO$_3$. The model treats conduction electrons within a tight-binding approximation, and the dielectric polarization via a Landau-Devonshire free energy that incorporates strontium titanate's strongly nonlinear, nonlocal, and temperature-dependent dielectric response. The self-consistent band structure comprises a mix of quantum 2D states that are tightly bound to the interface, and quasi-three-dimensional (3D) states that extend hundreds of unit cells into the SrTiO$_3$ substrate. We find that there is a substantial shift of electrons away from the interface into the 3D tails as temperature is lowered from 300 K to 10 K. This shift is least important at high electron densities ($\sim 10^{14}$ cm$^{-2}$), but becomes substantial at low densities; for example, the total electron density within 4~nm of the interface changes by a factor of two for 2D electron densities $\sim 10^{13}$ cm$^{-2}$. We speculate that the quasi-3D tails form the low-density high-mobility component of the interfacial electron gas that is widely inferred from magnetoresistance measurements.

We study the emergence of charge ordered phases within a pi-loop current (piLC) model for the pseudogap based on a three-band model for underdoped cuprate superconductors. Loop currents and charge ordering are driven by distinct components of the short-range Coulomb interactions: loop currents result from the repulsion between nearest-neighbor copper and oxygen orbitals, while charge order results from repulsion between neighboring oxygen orbitals. We find that the leading piLC phase has an antiferromagnetic pattern similar to previously discovered staggered flux phases, and that it emerges abruptly at hole dopings p below the van Hove filling. Subsequent charge ordering tendencies in the piLC phase reveal that diagonal d-charge density waves (dCDW) are suppressed by the loop currents while axial order competes more weakly. In some cases we find a wide temperature range below the loop-current transition, over which the susceptibility towards an axial dCDW is large. In these cases, short-range axial charge order may be induced by doping-related disorder. A unique feature of the coexisting dCDW and piLC phases is the emergence of an incommensurate modulation of the loop currents. If the dCDW is biaxial (checkerboard) then the resulting incommensurate current pattern breaks all mirror and time-reversal symmetries, thereby allowing for a polar Kerr effect.

We present evidence for the existence of a spontaneous instability towards an orbital loop-current phase in a multiorbital Hubbard model for the CuO$_2$ planes in cuprates. Contrary to the previously proposed $\theta_{II}$ phase with intra-unit cell currents, the identified instability is towards a staggered pattern of intertwined current loops. The orbitally resolved current pattern thereby shares its staggered character with the proposal of d-density wave order. The current pattern will cause a Fermi surface reconstruction and the opening of a pseudogap. We argue that the pseudogap phase with time-reversal symmetry breaking currents is susceptible to further phase transitions and therefore offers a route to account for axial incommensurate charge order and a polar Kerr effect in underdoped cuprates., Comment: 8 pages, 5 figures, a new section was added (Sec. VI Concluding Remarks), and the previous version was reformatted (supplementary materials are mostly merged with the body of the manuscript)

Many cuprate superconductors possess an unusual charge-ordered phase that is characterized by an approximate $d_{x^2-y^2}$ intra-unit cell form factor and a finite modulation wavevector $\bq^\ast$. We study the effects impurities on this charge ordered phase via a single-band model in which bond order is the analogue of charge order in the cuprates. Impurities are assumed to be pointlike and are treated within the self-consistent t-matrix approximation (SCTMA). We show that suppression of bond order by impurities occurs through the local disruption of the $d_{x^2-y^2}$ form factor near individual impurities. Unlike $d$-wave superconductors, where the sensitivity of $T_c$ to impurities can be traced to a vanishing average of the $d_{x^2-y^2}$ order parameter over the Fermi surface, the response of bond order to impurities is dictated by a few Fermi surface "hotspots". The bond order transition temperature $T_\mathrm{bo}$ thus follows a different universal dependence on impurity concentration $n_i$ than does the superconducting $T_c$. In particular, $T_\mathrm{bo}$ decreases more rapidly than $T_c$ with increasing $n_i$ when there is a nonzero Fermi surface curvature at the hotspots. Based on experimental evidence that the pseudogap is insensitive to Zn doping, we conclude that a direct connection between charge order and the pseudogap is unlikely. Furthermore, the enhancement of stripe correlations in the La-based cuprates by Zn doping is evidence that this charge order is also distinct from stripes.

In a multiorbital model of the cuprate high-temperature superconductors soft antiferromagnetic (AF) modes are assumed to reconstruct the Fermi surface to form nodal pockets. The subsequent charge ordering transition leads to a phase with a spatially modulated transfer of charge between neighboring oxygen p_x and p_y orbitals and also weak modulations of the charge density on the copper d_{x^2-y^2} orbitals. As a prime result of the AF Fermi surface reconstruction, the wavevectors of the charge modulations are oriented along the crystalline axes with a periodicity that agrees quantitatively with experiments. This resolves a discrepancy between experiments, which find axial order, and previous theoretical calculations, which find modulation wavevectors along the Brillouin zone (BZ) diagonal. The axial order is stabilized by hopping processes via the Cu4s orbital, which is commonly not included in model analyses of cuprate superconductors., Comment: Contains an expanded discussion and corrected calculation error

Charge order in cuprate superconductors is a possible source of anomalous electronic properties in the underdoped regime. Intra-unit cell charge ordering tendencies point to electronic nematic order involving oxygen orbitals. In this context we investigate charge instabilities in the Emery model and calculate the charge susceptibility within diagrammatic perturbation theory. In this approach, the onset of charge order is signalled by a divergence of the susceptibility. Our calculations reveal three different kinds of order: a commensurate ($q=0$) nematic order, and two incommensurate nematic phases with modulation wavevectors that are either axial or oriented along the Brillouin zone diagonal. We examine the nematic phase diagram as a function of the filling, the interaction parameters, and the band structure. We also present results for the excitation spectrum near the nematic instability, and show that a soft nematic mode emerges from the particle-hole continuum at the transition. The Fermi surface reconstructions that accompany the modulated nematic phases are discussed with respect to their relevance for magneto-oscillation and photoemission measurements. The modulated nematic phases that emerge from the three-band Emery model are compared to those found previously in one-band models., Comment: 13 pages, 12 figures. Revised in response to referee comments

We resolve an existing controversy between, on the one hand, convincing evidence for the existence of competing order in underdoped cuprates, and, on the other hand, spectroscopic data consistent with a seemingly homogeneous d-wave superconductor in the very same compounds. Specifically, we show how short-range fluctuations of the competing order essentially restore the nodal d-wave spectrum from the qualitatively distinct folded dispersion resulting from homogeneous coexisting phases. The signatures of the fluctuating competing order can be found mainly in a splitting of the antinodal quasi-particles and, depending of the strength of the competing order, also in small induced nodal gaps as found in recent experiments on underdoped La{2-x}SrxCuO4., Comment: 5 pages, 4 figures

To expand the framework available for interpreting experiments on disordered strongly correlated systems, and in particular to explore further the strong-coupling zero-bias anomaly found in the Anderson-Hubbard model, we ask how this anomaly responds to the addition of nonlocal electron-electron interactions. We use exact diagonalization to calculate the single-particle density of states of the extended Anderson-Hubbard model. We find that for weak nonlocal interactions the form of the zero-bias anomaly is qualitatively unchanged. The energy scale of the anomaly continues to be set by an effective hopping amplitude renormalized by the nonlocal interaction. At larger values of the nonlocal interaction strength, however, hopping ceases to be a relevant energy scale and higher energy features associated with charge correlations dominate the density of states., Comment: 9 pages, 7 figures

Polarized neutron scattering measurements have suggested that intra-unit cell antiferromagnetism may be associated with the pseudogap phase. Assuming that loop current order is responsible for the observed magnetism, we calculate some signatures of such circulating currents in the local density of states around a single non-magnetic impurity in a coexistence phase with superconductivity. We find a distinct C4 symmetry breaking near the disorder which is also detectable in the resulting quasi-particle interference patterns., Comment: 5 pages, 3 figures

We have studied the effects of interactions on persistent currents in half-filled and quarter-filled Hubbard models with weak and intermediate strength disorder. Calculations are performed using a variational Gutzwiller ansatz that describes short range correlations near the Mott transition. We apply an Aharonov-Bohm magnetic flux, which generates a persistent current that can be related to the Thouless conductance. The magnitude of the current depends on both the strength of the screened disorder potential and the strength of electron-electron correlations, and the Anderson localization length can be extracted from the scaling of the current with system size. At half filling, the persistent current is reduced by strong correlations when the interaction strength is large. Surprisingly, we find that the disorder potential is strongly screened in the large interaction limit, so that the localization length grows with increasing interaction strength even as the magnitude of the current is suppressed. This supports earlier dynamical mean field theory predictions that the elastic scattering rate is suppressed near the Mott transition., Comment: 7+epsilon pages

Using a combination of numerical and analytical calculations, we study the disorder-induced zero bias anomaly (ZBA) in the density of states of strongly-correlated systems modeled by the two dimensional Anderson-Hubbard model. We find that the ZBA comes from the response of the nonlocal inelastic self-energy to the disorder potential, a result which has implications for theoretical approaches that retain only the local self-energy. Using an approximate analytic form for the self-energy, we derive an expression for the density of states of the two-site Anderson-Hubbard model. Our formalism reproduces the essential features of the ZBA, namely that the width is proportional to the hopping amplitude $t$ and is independent of the interaction strength and disorder potential.

We test the usefulness of a generalized inverse participation ratio (GIPR) as a measure of Anderson localization. The GIPR differs from the usual inverse participation ratio in that it depends on the local density of states rather than on the single-electron wavefunctions. This makes it suitable for application to many-body systems. We benchmark the GIPR by performing a finite-size scaling analysis of a disordered, noninteracting, three-dimensional tight-binding lattice. We find values for the critical disorder and critical exponents that are in agreement with published values., Comment: 6 pages, 5 figures Accepted for publication in PRB

Motivated by experiments on doped transition metal oxides, this paper considers the interplay of interactions, disorder, kinetic energy and temperature in a simple system. An ensemble of two-site Anderson-Hubbard model systems has already been shown to display a zero-bias anomaly which shares features with that found in the two-dimensional Anderson-Hubbard model. Here the temperature dependence of the density of states of this ensemble is examined. In the atomic limit, there is no zero-bias anomaly at zero temperature, but one develops at small nonzero temperatures. With hopping, small temperatures augment the zero-temperature kinetic-energy-driven zero-bias anomaly, while at larger temperatures the anomaly is filled in., Comment: 8 pages, 3 figures; submitted to SCES 2010 conference proceedings

Several recent exact diagonalization calculations have established that the Anderson-Hubbard model has a disorder-induced zero bias anomaly (ZBA) (also called a disorder-induced pseudogap) in the density of states. In order to understand the physics of the ZBA, we study a simplified problem---an ensemble of two-site molecules with random site energies---for which analytical results are possible. For this ensemble, we examine how the ZBA forms in both the weakly correlated (mean field) and strongly correlated limits. In the weakly correlated case, the ZBA can be understood as the result of level repulsion between bonding and antibonding molecular orbitals. A similar level repulsion occurs in the strongly correlated case too, but a larger contribution to the ZBA comes from the suppression of a triplet excitation mode. This inherently many-body mechanism does not have a counterpart in mean-field models., Comment: One figure added for v2

The combined effects of strong disorder, strong correlations and hopping in the Anderson-Hubbard model have been shown to produce a zero bias anomaly which has an energy scale proportional to the hopping and minimal dependence on interaction strength, disorder strength and doping. Disorder-induced suppression of the density of states for a purely local interaction is inconsistent with both the Efros-Shklovskii Coulomb gap and the Altshuler-Aronov anomaly, and moreover the energy scale of this anomaly is inconsistent with the standard energy scales of both weak and strong coupling pictures. We demonstrate that a density of states anomaly with similar features arises in an ensemble of two-site systems, and we argue that the energy scale t emerges in strongly correlated systems with disorder due to the mixing of lower and upper Hubbard orbitals on neighboring sites., Comment: 4 pages, 3 figures; new version includes minor changes to figures and text to increase clarity

A self-consistent model is developed for the surface and bulk states of thin Y_{1-y}Ca_yBa_2Cu_3O_{7-\delta} (YCBCO) films. The dispersions of the chain and plane layers are modelled by tight-binding bands, and the electronic structure is then calculated for a finite-thickness film. The dopant atoms are treated within a virtual crystal approximation. Because YCBCO is a polar material, self-consistent treatment of the long range Coulomb interaction leads to a transfer of charge between the film surfaces, and to the formation of surface states. The tight binding band parameters are constrained by the requirement that the calculated band structure of surface states at CuO$_2$-terminated surfaces be in agreement with photoemission experiments. The spectral function and density of states are calculated and compared with experiments. Unlike the case of Bi_2Sr_2CaCu_2O_8, where the surfaces are believed to be representative of the bulk, the densities of states at the YCBCO surfaces are shown to be qualitatively different from the bulk, and are sensitive to doping. The calculated spectral function agrees closely with both bulk-sensitive and surface-sensitive photoemission results, while the calculated density of states for optimally-doped YCBCO agrees closely with tunneling experiments. We find that some density of states features previously ascribed to competing order can be understood as band structure effects., Comment: 10 pages, 10 figures

Partially-projected Gutzwiller variational wavefunctions are used to describe the ground state of disordered interacting systems of fermions. We compare several different variational ground states with the exact ground state for disordered one-dimensional chains, with the goal of determining a minimal set of variational parameters required to accurately describe the spatially-inhomogeneous charge densities and spin correlations. We find that, for weak and intermediate disorder, it is sufficient to include spatial variations of the charge densities in the product state alone, provided that screening of the disorder potential is accounted for. For strong disorder, this prescription is insufficient and it is necessary to include spatially inhomogeneous variational parameters as well., Comment: 12 pages, 17 figures

We study the effect of strong correlations on the zero bias anomaly (ZBA) in disordered interacting systems. We focus on the two-dimensional extended Anderson-Hubbard model, which has both on-site and nearest-neighbor interactions on a square lattice. We use a variation of dynamical mean field theory in which the diagonal self-energy is solved self-consistently at each site on the lattice for each realization of the randomly-distributed disorder potential. Since the ZBA occurs in systems with both strong disorder and strong interactions, we use a simplified atomic-limit approximation for the diagonal inelastic self-energy that becomes exact in the large-disorder limit. The off-diagonal self-energy is treated within the Hartree-Fock approximation. The validity of these approximations is discussed in detail. We find that strong correlations have a significant effect on the ZBA at half filling, and enhance the Coulomb gap when the interaction is finite-ranged.

We examine the effects of the CuO chains on the density of states in the vortex phase in YBa_2Cu_3O_7, via a calculation based on the tight-binding proximity model. In this model, chain superconductivity results from single-electron hopping between the intrinsically-normal chains and intrinsically-superconducting CuO_2 planes. The calculations are based on self-consistent solutions of the Bogolyubov-de Gennes equations for a bilayer consisting of a single CuO_2 layer and a single CuO chain layer. We find that, in addition to the dispersing resonances found in single-layer models, the chains introduce a second set of dispersing resonances associated with the induced gap in the chain layer. These new resonances are highly anisotropic and distort the vortex core shape.

We report that in YBa2Cu3Oy and La2-xSrxCuO4 there is a spatially inhomogeneous response to magnetic field for temperatures T extending well above the bulk superconducting transition temperature Tc. An inhomogeneous magnetic response is observed above Tc even in ortho-II YBa2Cu3O6.50, which has highly ordered doping. The degree of the field inhomogeneity above Tc tracks the hole doping dependences of both Tc and the density of the superconducting carriers below Tc, and therefore is apparently coupled to superconductivity., Comment: Modified discussion

With the goal of measuring localization in disordered interacting systems, we examine the finite-size scaling of the geometrically-averaged density of states calculated from the local Green's function with finite energy resolution. Our results show that, unlike in a simple energy binning procedure, there is no limit in which the finite energy resolution is irrelevant., Comment: 2 pages, 1 figure; to be published in the proceedings of SCES '07

The Bogoliubov-deGennes equations are solved for a proximity model for YBa_2Cu_3O_{7-\delta} in a magnetic field. The model explicitly includes the effects of the one-dimensional CuO chains, whose influence on the vortex core structure is studied. The rapid vortex core contraction as a function of field which is seen experimentally at low magnetic fields is naturally explained by the presence of the chains., Comment: 9 pages, 5 figures

We study the two-dimensional paramagnetic Anderson-Hubbard model using an extension of dynamical mean-field theory that allows us to treat disorder and strong electronic correlations on equal footing. We investigate the scaling of the inverse participation ratio at quarter- and half-filling and find a nonmonotonic dependence of the localization length on the interaction strength. We do not find evidence for an insulator-metal transition. The disorder potential becomes unscreened near the Mott transition. Furthermore, strong correlations suppress the Altshuler-Aronov density of states anomaly near half-filling., Comment: 5 pages, 4 figures. Revised version, In Press Phys. Rev. B

We report on muon spin rotation measurements of the internal magnetic field distribution n(B) in the vortex solid phase of YBa2Cu3Oy (YBCO) single crystals, from which we have simultaneously determined the hole doping dependences of the in-plane Ginzburg-Landau (GL) length scales in the underdoped regime. We find that Tc has a sublinear dependence on 1/lambda_{ab}^2, where lambda_{ab} is the in-plane magnetic penetration depth in the extrapolated limits T -> 0 and H -> 0. The power coefficient of the sublinear dependence is close to that determined in severely underdoped YBCO thin films, indicating that the same relationship between Tc and the superfluid density is maintained throughout the underdoped regime. The in-plane GL coherence length (vortex core size) is found to increase with decreasing hole doping concentration, and exhibit a field dependence that is explained by proximity-induced superconductivity on the CuO chains. Both the magnetic penetration depth and the vortex core size are enhanced near 1/8 hole doping, supporting the belief by some that stripe correlations are a universal property of high-Tc cuprates., Comment: 12 pages, 13 figures

Scanning tunneling spectroscopy was performed on c-axis Y{1-x}Ca{x}Ba2Cu3O{7-delta} thin films for x= 0, 0.05, 0.15 and 0.20 at 4.2K. The measured spectra show main-gap, sub-gap and satellite features which scale similarly in energy versus Ca-doping, suggesting that they are associated with a single pairing energy. The data is analyzed with a multiband tunneling model which attributes the sub-gap features to the chain band and the satellite and main-gap features to the plane band for d+s pairing symmetry. These results suggest that the superconductivity in Y{1-x}Ca{x}Ba2Cu3O{7-delta} involves multiple bands., Comment: 4 pages, 5 figures, to appear in Physical Review Letters

The influence of static magnetic correlations on the temperature-dependent superfluid density \rho_s(T) is calculated for d-wave superconductors. In self-consistent calculations, itinerant holes form incommensurate spin density waves (SDW) which coexist with superconductivity. In the clean limit, the density of states is gapped, and \rho_s(T << T_c) is exponentially activated. In inhomogeneously-doped cases, the SDW are disordered and both the density of states and \rho_s(T) obtain forms indistinguishable from those in dirty but pure d-wave superconductors, in accordance with experiments. We conclude that the observed collapse of \rho_s at x\approx 0.35 in underdoped YBCO may plausibly be attributed to the coexistence of SDW and superconductivity., Comment: 6 pages, 5 figures. Expanded discussion

Motivated by current interest in disordered systems of interacting electrons, the effectiveness of the geometrically averaged density of states, $\rho_g(\omega)$, as an order parameter for the Anderson transition is examined. In the context of finite-size systems we examine complications which arise from finite energy resolution. Furthermore we demonstrate that even in infinite systems a decline in $\rho_g(\omega)$ with increasing disorder strength is not uniquely associated with localization., Comment: 8 pages, 8 figures; revised text and figures

The compound LiAl_yTi_(2-y)O_4 undergoes a metal-to-insulator transition for y_c ~0 .33. This system, in the absence of strong electronic correlations, is a prototypical example of quantum site percolation. However, it is known that the effects of disorder produced by such a percolating lattice are insufficient to explain this transition: a quantum site percolation model predicts y_c ~ 0.8, well above the experimental value. We have included an on-site Hubbard interaction into a model of this compound, using a real-space Hartree-Fock approach, and have found that for a Hubbard energy equal to 1.5 times the non-interacting bandwidth one obtains y_c~0.35. Further, as a function of increasing Hubbard energy, we find that an Altshuler-Aronov suppression of the density of states, delta N(E) ~ sqrt(| E-E_F |), reduces the density of states at the Fermi energy to zero at the critical Hubbard interaction. Using this ratio of correlation to hopping energy one is led to a prediction for the value of near-neighbour superexchange J/t~1/3 which is similar to that for the cuprate superconductors., Comment: 10 pages, 4 figures

Fourier transform scanning tunneling spectroscopy (FTSTS) is a useful technique for extracting details of the momentum-resolved electronic band structure from inhomogeneities in the local density of states due to disorder-related quasiparticle scattering. To a large extent, current understanding of FTSTS is based on models of Friedel oscillations near isolated impurities. Here, a framework for understanding many-impurity effects is developed based on a systematic treatment of the variance Delta rho^2(q,omega) of the Fourier transformed local density of states rho(q,\omega). One important consequence of this work is a demonstration that the poor signal-to-noise ratio inherent in rho(q,omega) due to randomness in impurity positions can be eliminated by configuration averaging Delta rho^2(q,omega). Furthermore, we develop a diagrammatic perturbation theory for Delta rho^2(q,omega) and show that an important bulk quantity, the mean-free-path, can be extracted from FTSTS experiments., Comment: 7 pages, 5 figures. A version of the paper with high resolution, colour figures is available at http://www.trentu.ca/physics/batkinson/FTSTS.ps.gz minor revisions in response to refree report + figure 5 is modified

This paper has been withdrawn due to a sign error in the equation for F_11 which invalidates many results., Comment: This paper has been withdrawn

The tunneling spectrum of an inhomogeneously doped extended Hubbard model is calculated at the mean field level. Self-consistent solutions admit both superconducting and antiferromagnetic order, which coexist inhomogeneously because of spatial randomness in the doping. The calculations find that, as a function of doping, there is a continuous cross over from a disordered ``pinned smectic'' state to a relatively homogeneous d-wave state with pockets of antiferromagnetic order. The density of states has a robust d-wave gap, and increasing antiferromagnetic correlations lead to a suppression of the coherence peaks. The spectra of isolated nanoscale antiferromagnetic domains are studied in detail, and are found to be very different from those of macroscopic antiferromagnets. Although no single set of model parameters reproduces all details of the experimental spectrum in BSCCO, many features, notably the collapse of the coherence peaks and the occurence of a low-energy shoulder in the local spectrum, occur naturally in these calculations., Comment: 9 pages, 5 figures