arXiv subjects

B. Moritz

Publications and source records attributed to B. Moritz.

At least 73 records · Page 4Linked to original sources

arXiv2012

An Investigation of Particle-Hole Asymmetry in the Cuprates via Electronic Raman Scattering

In this paper we examine the effects of electron-hole asymmetry as a consequence of strong correlations on the electronic Raman scattering in the normal state of copper oxide high temperature superconductors. Using determinant quantum Monte Carlo simulations of the single-band Hubbard model, we construct the electronic Raman response from single particle Green's functions and explore the differences in the spectra for electron and hole doping away from half filling. The theoretical results are compared to new and existing Raman scattering experiments on hole-doped La$_{2-x}$Sr$_{x}$CuO$_{4}$ and electron-doped Nd$_{2-x}$Ce$_{x}$CuO$_{4}$. These findings suggest that the Hubbard model with fixed interaction strength qualitatively captures the doping and temperature dependence of the Raman spectra for both electron and hole doped systems, indicating that the Hubbard parameter U does not need to be doping dependent to capture the essence of this asymmetry.

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arXiv2012

Resonant Enhancement of Charge Density Wave Diffraction in the Rare-Earth Tritellurides

We performed resonant soft X-ray diffraction on known charge density wave (CDW) compounds, rare earth tri-tellurides. Near the $M_5$ (3d - 4f) absorption edge of rare earth ions, an intense diffraction peak is detected at a wavevector identical to that of CDW state hosted on Te$_2$ planes, indicating a CDW-induced modulation on the rare earth ions. Surprisingly, the temperature dependence of the diffraction peak intensity demonstrates an exponential increase at low temperatures, vastly different than that of the CDW order parameter. Assuming 4f multiplet splitting due to the CDW states,we present a model to calculate X-ray absorption spectrum and resonant profile of the diffraction peak, agreeing well with experimental observations. Our results demonstrate a situation where the temperature dependence of resonant X-ray diffraction peak intensity is not directly related to the intrinsic behavior of the order parameter associated with the electronic order, but is dominated by the thermal occupancy of the valence states.

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arXiv2011

A Fidelity Study of the Superconducting Phase Diagram in the 2D Single-band Hubbard Model

Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range d-wave pair field term, which precipitates a superconducting state in the d-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the d-wave pair/spin/charge-density matrices. The calculations show a d-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion U and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping t'. We also demonstrate that negative t' plays an important role in facilitating d-wave superconductivity.

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arXiv2011

On the Question of Coincidence Between Energy Gaps and Kohn Anomalies

Recently, neutron scattering spin echo measurements have provided high resolution data on the temperature dependence of the linewidth $Γ({\bf q},T)$ of acoustic phonons in conventional superconductors Pb and Nb. [P. Aynajian, et al, Science 319, 1509 (2008)]. At low temperatures the merging of the $2Δ(T)$ structure in the linewidth with a peak associated with a low lying $\hbarω_{\bf q_{KA}}$ Kohn anomaly suggested a coincidence between $2Δ(0)$ and $\hbarω_{\bf q_{KA}}$ in Pb and Nb. Here we carry out a standard BCS calculation of the phonon linewidth to examine its temperature evolution and explore how close $2Δ(0)/\hbarω_{\bf q_{KA}}$ must be to unity in order to be consistent with the neutron data.

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arXiv2011

Revealing the degree of magnetic frustration by non-magnetic impurities

Imaging the magnetic fields around a non-magnetic impurity can provide a clear benchmark for quantifying the degree of magnetic frustration. Focusing on the strongly frustrated $J_1$-$J_2$ model and the spatially anisotropic $J_{1a}$-$J_{1b}$-$J_2$ model, very distinct low energy behaviors reflect different levels of magnetic frustration. In the $J_1$-$J_2$ model, bound magnons appear trapped near the impurity in the ground state and strongly reduce the ordered moments for sites proximal to the impurity. In contrast, local moments in the $J_{1a}$-$J_{1b}$-$J_2$ model are enhanced on the impurity neighboring sites. These theoretical predictions can be probed by experiments such as nuclear magnetic resonance and scanning tunneling microscopy, and the results can elucidate the role of frustration in antiferromagnets and help narrow the possible models to understand magnetism in the iron pnictdies.

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arXiv2011

Symmetry breaking orbital anisotropy on detwinned Ba(Fe1-xCox)2As2 above the spin density wave transition

Nematicity, defined as broken rotational symmetry, has recently been observed in competing phases proximate to the superconducting phase in the cuprate high temperature superconductors. Similarly, the new iron-based high temperature superconductors exhibit a tetragonal to orthorhombic structural transition (i.e. a broken C4 symmetry) that either precedes or is coincident with a collinear spin density wave (SDW) transition in undoped parent compounds, and superconductivity arises when both transitions are suppressed via doping. Evidence for strong in-plane anisotropy in the SDW state in this family of compounds has been reported by neutron scattering, scanning tunneling microscopy, and transport measurements. Here we present an angle resolved photoemission spectroscopy study of detwinned single crystals of a representative family of electron-doped iron-arsenide superconductors, Ba(Fe1-xCox)2As2 in the underdoped region. The crystals were detwinned via application of in-plane uniaxial stress, enabling measurements of single domain electronic structure in the orthorhombic state. At low temperatures, our results clearly demonstrate an in-plane electronic anisotropy characterized by a large energy splitting of two orthogonal bands with dominant dxz and dyz character, which is consistent with anisotropy observed by other probes. For compositions x>0, for which the structural transition (TS) precedes the magnetic transition (TSDW), an anisotropic splitting is observed to develop above TSDW, indicating that it is specifically associated with TS. For unstressed crystals, the band splitting is observed close to TS, whereas for stressed crystals the splitting is observed to considerably higher temperatures, revealing the presence of a surprisingly large in-plane nematic susceptibility in the electronic structure.

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arXiv2010

Unraveling the Nature of Charge Excitations in La$_2$CuO$_4$ with Momentum-Resolved Cu $K$-edge Resonant Inelastic X-ray Scattering

Results of model calculations using exact diagonalization reveal the orbital character of states associated with different Raman loss peaks in Cu $K$-edge resonant inelastic X-ray scattering (RIXS) from La$_{2}$CuO$_{4}$. The model includes electronic orbitals necessary to highlight non-local Zhang-Rice singlet, charge transfer and $d$-$d$ excitations, as well as states with apical oxygen 2$p_z$ character. The dispersion of these excitations is discussed with prospects for resonant final state wave-function mapping. A good agreement with experiments emphasizes the substantial multi-orbital character of RIXS profiles in the energy transfer range 1-6 eV.

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arXiv2010

Orbital Order and Spontaneous Orthorhombicity in Iron Pnictides

A growing list of experiments show orthorhombic electronic anisotropy in the iron pnictides, in some cases at temperatures well above the spin density wave transition. These experiments include neutron scattering, resistivity and magnetoresistance measurements, and a variety of spectroscopies. We explore the idea that these anisotropies stem from a common underlying cause: orbital order manifest in an unequal occupation of $d_{xz}$ and $d_{yz}$ orbitals, arising from the coupled spin-orbital degrees of freedom. We emphasize the distinction between the total orbital occupation (the integrated density of states), where the order parameter may be small, and the orbital polarization near the Fermi level which can be more pronounced. We also discuss light-polarization studies of angle-resolved photoemission, and demonstrate how x-ray absorption linear dichroism may be used as a method to detect an orbital order parameter.

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arXiv2010

A Systematic Study of Electron-Phonon Coupling to Oxygen Modes Across the Cuprates

The large variations of T$_c$ across the cuprate families is one of the major unsolved puzzles in condensed matter physics, and is poorly understood. Although there appears to be a great deal of universality in the cuprates, several orders of magnitude changes in T$_c$ can be achieved through changes in the chemical composition and structure of the unit cell. In this paper we formulate a systematic examination of the variations in electron-phonon coupling to oxygen phonons in the cuprates, incorporating a number of effects arising from several aspects of chemical composition and doping across cuprate families. It is argued that the electron-phonon coupling is a very sensitive probe of the material-dependent variations of chemical structure, affecting the orbital character of the band crossing the Fermi level, the strength of local electric fields arising from structural-induced symmetry breaking, doping dependent changes in the underlying band structure, and ionicity of the crystal governing the ability of the material to screen $c$-axis perturbations. Using electrostatic Ewald calculations and known experimental structural data, we establish a connection between the material's maximal T$_c$ at optimal doping and the strength of coupling to $c$-axis modes. We demonstrate that materials with the largest coupling to the out-of-phase bond-buckling (``$B_{1g}$") oxygen phonon branch also have the largest T$_c$'s. In light of this observation we present model T$_c$ calculations using a two-well model where phonons work in conjunction with a dominant pairing interaction, presumably due to spin fluctuations, indicating how phonons can generate sizeable enhancements to T$_c$ despite the relatively small coupling strengths. Combined, these results can provide a natural framework for understanding the doping and material dependence of T$_c$ across the cuprates.

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arXiv2010

Insights on the cuprate high energy anomaly observed in ARPES

Recently, angle-resolved photoemission spectroscopy has been used to highlight an anomalously large band renormalization at high binding energies in cuprate superconductors: the high energy "waterfall" or high energy anomaly (HEA). The anomaly is present for both hole- and electron-doped cuprates as well as the half-filled parent insulators with different energy scales arising on either side of the phase diagram. While photoemission matrix elements clearly play a role in changing the aesthetic appearance of the band dispersion, i.e. creating a "waterfall"-like appearance, they provide an inadequate description for the physics that underlies the strong band renormalization giving rise to the HEA. Model calculations of the single-band Hubbard Hamiltonian showcase the role played by correlations in the formation of the HEA and uncover significant differences in the HEA energy scale for hole- and electron-doped cuprates. In addition, this approach properly captures the transfer of spectral weight accompanying doping in a correlated material and provides a unifying description of the HEA across both sides of the cuprate phase diagram. We find that the anomaly demarcates a transition, or cross-over, from a quasiparticle band at low binding energies near the Fermi level to valence bands at higher binding energy, assumed to be of strong oxygen character.

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arXiv2010

Temporal response of nonequilibrium correlated electrons

In this work we examine the time-resolved, instantaneous current response for the spinless Falicov-Kimball model at half-filling, on both sides of the Mott-Hubbard metal-insulator transition, driven by a strong electric field pump pulse. The results are obtained using an exact, nonequilibrium, many-body impurity solution specifically designed to treat the out-of-equilibrium evolution of electrons in time-dependent fields. We provide a brief introduction to the method and its computational details. We find that the current develops Bloch oscillations, similar to the case of DC driving fields, with an additional amplitude modulation, characterized by beats and induced by correlation effects. Correlations primarily manifest themselves through an overall reduction in magnitude and shift in the onset time of the current response with increasing interaction strength.

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arXiv2010

Time-resolved photoemission of correlated electrons driven out of equilibrium

We describe the temporal evolution of the time-resolved photoemission response of the spinless Falicov-Kimball model driven out of equilibrium by strong applied fields. The model is one of the few possessing a metal-insulator transition and admitting an exact solution in the time domain. The nonequilibrium dynamics, evaluated using an extension of dynamical mean-field theory, show how the driven system differs from two common viewpoints - a quasiequilibrium system at an elevated effective temperature (the "hot" electron model) or a rapid interaction quench ("melting" of the Mott gap) - due to the rearrangement of electronic states and redistribution of spectral weight. The results demonstrate the inherent trade-off between energy and time resolution accompanying the finite width probe pulses, characteristic of those employed in pump-probe time-domain experiments, which can be used to focus attention on different aspects of the dynamics near the transition.

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arXiv2010

Doping-dependent nodal Fermi velocity in Bi-2212 revealed by high-resolution ARPES

The improved resolution of laser-based angle-resolved photoemission spectroscopy (ARPES) allows reliable access to fine structures in the spectrum. We present a systematic, doping-dependent study of a recently discovered low-energy kink in the nodal dispersion of Bi2Sr2CaCu2O8+d (Bi-2212), which demonstrates the ubiquity and robustness of this kink in underdoped Bi-2212. The renormalization of the nodal velocity due to this kink becomes stronger with underdoping, revealing that the nodal Fermi velocity is non-universal, in contrast to assumed phenomenology. This is used together with laser-ARPES measurements of the gap velocity, v2, to resolve discrepancies with thermal conductivity measurements.

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arXiv2010

Strong energy-momentum dispersion of phonon-dressed carriers in the lightly doped band insulator SrTiO$_3$

Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises how this compares with doped band insulators where similar el-ph couplings should be at work. The archetypical case is the perovskite SrTiO$_3$ (STO), well known for its giant dielectric constant of 10000 at low temperature, exceeding that of La$_2$CuO$_4$ by a factor of 500. Based on this fact, it has been suggested that doped STO should be the archetypical bipolaron superconductor. Here we report an ARPES study from high-quality surfaces of lightly doped SrTiO$_3$. Comparing to lightly doped Mott insulators, we find the signatures of only moderate electron-phonon coupling: a dispersion anomaly associated with the low frequency optical phonon with a $λ'\sim0.3$ and an overall bandwidth renormalization suggesting an overall $λ'\sim0.7$ coming from the higher frequency phonons. Further, we find no clear signatures of the large pseudogap or small polaron phenomena. These findings demonstrate that a large dielectric constant itself is not a good indicator of el-ph coupling and highlight the unusually strong effects of the el-ph coupling in doped Mott insulators.

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arXiv2009

Finite temperature spin-dynamics and phase transitions in spin-orbital models

We study finite temperature properties of a generic spin-orbital model relevant to transition metal compounds, having coupled quantum Heisenberg-spin and Ising-orbital degrees of freedom. The model system undergoes a phase transition, consistent with that of a 2D Ising model, to an orbitally ordered state at a temperature set by short-range magnetic order. At low temperatures the orbital degrees of freedom freeze-out and the model maps on to a quantum Heisenberg model. The onset of orbital excitations causes a rapid scrambling of the spin spectral weight away from coherent spin-waves, which leads to a sharp increase in uniform magnetic susceptibility just below the phase transition, reminiscent of the observed behavior in the Fe-pnictide materials.

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arXiv2009

Material and doping dependence of the nodal and anti-nodal dispersion renormalizations in single- and multi-layer cuprates

In this paper we present a review of bosonic renormalization effects on electronic carriers observed from angle-resolved photoemission spectra in the cuprates. We specifically discuss the viewpoint that these renormalizations represent coupling of the electrons to the lattice, and review how the wide range of materials dependence, such as the number of CuO$_2$ layers, and the doping dependence can be straightforwardly understood as arising due to novel electron-phonon coupling.

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arXiv2009

Effect of strong correlations on the high energy anomaly in hole- and electron-doped high-Tc superconductors

Recently, angle-resolved photoemission spectroscopy (ARPES) has been used to highlight an anomalously large band renormalization at high binding energies in cuprate superconductors: the high energy 'waterfall' or high energy anomaly (HEA). This paper demonstrates, using a combination of new ARPES measurements and quantum Monte Carlo simulations, that the HEA is not simply the by-product of matrix element effects, but rather represents a cross-over from a quasiparticle band at low binding energies near the Fermi level to valence bands at higher binding energy, assumed to be of strong oxygen character, in both hole- and electron-doped cuprates. While photoemission matrix elements clearly play a role in changing the aesthetic appearance of the band dispersion, i.e. the 'waterfall'-like behavior, they provide an inadequate description for the physics that underlies the strong band renormalization giving rise to the HEA. Model calculations of the single-band Hubbard Hamiltonian showcase the role played by correlations in the formation of the HEA and uncover significant differences in the HEA energy scale for hole- and electron-doped cuprates. In addition, this approach properly captures the transfer of spectral weight accompanying both hole and electron doping in a correlated material and provides a unifying description of the HEA across both sides of the cuprate phase diagram.

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arXiv2009

A momentum-dependent perspective on quasiparticle interference in Bi_{2}Sr_{2}CaCu_{2}O_{8+δ}

Angle Resolved Photoemission Spectroscopy (ARPES) probes the momentum-space electronic structure of materials, and provides invaluable information about the high-temperature superconducting cuprates. Likewise, the cuprate real-space, inhomogeneous electronic structure is elucidated by Scanning Tunneling Spectroscopy (STS). Recently, STS has exploited quasiparticle interference (QPI) - wave-like electrons scattering off impurities to produce periodic interference patterns - to infer properties of the QP in momentum-space. Surprisingly, some interference peaks in Bi_{2}Sr_{2}CaCu_{2}O_{8+δ} (Bi-2212) are absent beyond the antiferromagnetic (AF) zone boundary, implying the dominance of particular scattering process. Here, we show that ARPES sees no evidence of quasiparticle (QP) extinction: QP-like peaks are measured everywhere on the Fermi surface, evolving smoothly across the AF zone boundary. This apparent contradiction stems from different natures of single-particle (ARPES) and two-particle (STS) processes underlying these probes. Using a simple model, we demonstrate extinction of QPI without implying the loss of QP beyond the AF zone boundary.

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