arXiv subjects

T. P. Devereaux

Publications and source records attributed to T. P. Devereaux.

At least 109 records · Page 6Linked to original sources

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

Existence of Orbital Order and its Fluctuation in Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ Revealed by X-ray Absorption Spectroscopy

We performed temperature dependent X-ray linear dichroism (XLD) experiments on an iron pnictide system, Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ with $x$=0.00 and 0.05, to experimentally verify existence of orbital ordering (OO). We observed clear XLD in polarization dependent X-ray absorption spectra of Fe $L$ edges. By exploiting the difference in the temperature dependent behaviors, we were able to separate OO and structure contributions to XLD. The observed OO signal indicates different occupation numbers for $d_{yz}$ and $d_{zx}$ orbitals and supports existence of a ferro-OO. The results are also consistent with the theoretical prediction. Moreover, we find substantial OO signal above the transition temperature, which suggests that OO fluctuation exists well above the transition temperature.

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arXiv2011

Polaronic metal in lightly doped high-Tc cuprates

We present a combined study of the angle-resolved-photoemission spectroscopy (ARPES) and quantum Monte Carlo simulations to propose a novel polaronic metallic state in underdoped cuprates. An approximation scheme is proposed to represent underdoped cuprates away from 1/2 filling, replacing the many-body Hamiltonian by that of a single polaron with effective electron-phonon interaction (EPI), that successfully explains many puzzles such as a large momentum-dependent dichotomy between nodal and anti-nodal directions, and an unconventional doping dependence of ARPES in the underdoped region.

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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

Probing high-energy electronic excitations using inelastic neutron scattering

High-energy, local multiplet excitations of the d-electrons are revealed in our inelastic neutron scattering measurements on the prototype magnetic insulator NiO. These become allowed by the presence of both non-zero crystal field and spin-orbit coupling. The observed excitations are consistent with optical, x-ray, and EELS measurements of d-d excitations. This experiment serves as a proof of principle that high-energy neutron spectroscopy is a reliable and useful technique for probing electronic excitations in systems with significant crystal field and spin-orbit interactions.

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arXiv2011

Anisotropic quasiparticle lifetimes in Fe-based superconductors

We study the dynamical quasiparticle scattering by spin and charge fluctuations in Fe-based pnictides within a five-orbital model with on-site interactions. The leading contribution to the scattering rate is calculated from the second-order diagrams with the polarization operator calculated in the random-phase approximation. We find one-particle scattering rates which are highly anisotropic on each Fermi surface sheet due to the momentum dependence of the spin susceptibility and the multi-orbital composition of each Fermi pocket. This fact, combined with the anisotropy of the effective mass, produces disparity between electrons and holes in conductivity, the Hall coefficient, and the Raman initial slope, in qualitative agreement with experimental 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

Reaffirming the $d_{x^2-y^2}$ superconducting gap using the auto-correlation angle-resolved photoemission spectroscopy of Bi$_{1.5}$Pb$_{0.55}$Sr$_{1.6}$La$_{0.4}$CuO$_{6+δ}$

Knowledge of the gap function is important to understand the pairing mechanism for high-temperature ($T_\mathrm{c}$) superconductivity. However, Fourier transform scanning tunneling spectroscopy (FT STS) and angle-resolved photoemission spectroscopy (ARPES) in the cuprates have reported contradictory gap functions, with FT-STS results deviating strongly from a canonical $d_{x^2-y^2}$ form. By applying an "octet model" analysis to autocorrelation ARPES, we reveal that a contradiction occurs because the octet model does not consider the effects of matrix elements and the pseudogap. This reaffirms the canonical $d_{x^2-y^2}$ superconducting gap around the node, which can be directly determined from ARPES. Further, our study suggests that the FT-STS reported fluctuating superconductivity around the node at far above $T_\mathrm{c}$ is not necessary to explain the existence of the quasiparticle interference

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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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arXiv2011

From a single-band metal to a high-temperature superconductor via two thermal phase transitions

The nature of the pseudogap phase of cuprate high-temperature superconductors is a major unsolved problem in condensed matter physics. We studied the commencement of the pseudogap state at temperature T* using three different techniques (angle-resolved photoemission spectroscopy, polar Kerr effect, and time-resolved reflectivity) on the same optimally-doped Bi2201 crystals. We observed the coincident, abrupt onset at T* of a particle-hole asymmetric antinodal gap in the electronic spectrum, a Kerr rotation in the reflected light polarization, and a change in the ultrafast relaxational dynamics, consistent with a phase transition. Upon further cooling, spectroscopic signatures of superconductivity begin to grow close to the superconducting transition temperature (Tc), entangled in an energy-momentum-dependent fashion with the pre-existing pseudogap features, ushering in a ground state with coexisting orders.

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arXiv2011

Theory of two magnon Raman scattering in antiferromagnetic iron pnictides

Although the parent iron-based pnictides and chalcogenides are itinerant antiferromagnets, the use of local moment picture to understand their magnetic properties is still widespread. We study magnetic Raman scattering from a local moment perspective for various quantum spin models proposed for this new class of superconductors. These models vary greatly in the level of magnetic frustration and show a vastly different two-magnon Raman response. Light scattering by two-magnon excitations thus provides a robust and independent measure of the underlying spin interactions. In accord with other recent experiments, our results indicate that the amount of magnetic frustration in these systems may be small.

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arXiv2011

Evidence for forward scattering and coupling to acoustic phonon modes in high-T$_c$ cuprate superconductors

Recent laser angle-resolved photoemission spectroscopy studies have established the presence of a new kink in the low-energy nodal dispersion of Bi$_2$Sr$_2$CaCu$_2$O$+{8+δ}$ (Bi-2212). The energy scale (~8-15 meV) of this kink appears below the maximum of the superconducting gap $δ_0$. Therefore it is difficult to interpret this feature in terms of the usual coupling to a sharp dispersionless mode. In this paper we examine electron-phonon coupling to the in-plane acoustic phonon branch arising from the modulation of the screened Coulomb potential. We demonstrate that such a coupling has a strong forward scattering peak, and as a consequence, a kink occurs in the dispersion at an energy scale shifted by the local gap $δ(k)$. In addition, considerations for the reduction of screening with underdoping naturally explains the observed doping dependence of the low-energy kink. These results point to a strong coupling to the acoustic branch which is peaked in the forward scattering direction and has important implications for transport and pairing in the high-T$_c$ cuprates.

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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

ARPES studies of cuprate Fermiology: superconductivity, pseudogap, and quasiparticle dynamics

We present angle-resolved photoemission spectroscopy (ARPES) studies of the cuprate high-temperature superconductors which elucidate the relation between superconductivity and the pseudogap and highlight low-energy quasiparticle dynamics in the superconducting state. Our experiments suggest that the pseudogap and superconducting gap represent distinct states, which coexist below T$_c$. Studies on Bi-2212 demonstrate that the near-nodal and near-antinodal regions behave differently as a function of temperature and doping, implying that different orders dominate in different momentum-space regions. However, the ubiquity of sharp quasiparticles all around the Fermi surface in Bi-2212 indicates that superconductivity extends into the momentum-space region dominated by the pseudogap, revealing subtlety in this dichotomy. In Bi-2201, the temperature dependence of antinodal spectra reveals particle-hole asymmetry and anomalous spectral broadening, which may constrain the explanation for the pseudogap. Recognizing that electron-boson coupling is an important aspect of cuprate physics, we close with a discussion of the multiple 'kinks' in the nodal dispersion. Understanding these may be important to establishing which excitations are important to superconductivity.

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arXiv2010

Pinpointing Gap Minima in Ba(Fe$_{0.94}$Co$_{0.06})_{2}$As$_2$ \textit{via} Band Structure Calculations and Electronic Raman Scattering

A detailed knowledge of the gap structure for the Fe-pnictide superconductors is still rather rudimentary, with several conflicting reports of either nodes, deep gap minima, or fully isotropic gaps on the Fermi surface sheets, both in the $k_{x}-k_{y}$ plane and along the c-axis. In this paper we present considerations for electronic Raman scattering which can help clarify the gap structure and topology using different light scattering geometries. Using density functional calculations for the Raman vertices, it is shown that the location of the gap minima may occur on loops stretching over a portion of the c-axis in Ba(Fe$_{0.94}$Co$_{0.06})_{2}$As$_2$.

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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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