arXiv subjects

T. P. Devereaux

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

At least 55 records · Page 3Linked to original sources

arXiv2016

Time-domain pumping a quantum-critical charge-density-wave-ordered material

We determine the exact time-resolved photoemission spectroscopy for a nesting driven charge-density-wave (described by the spinless Falicov-Kimball model within dynamical mean-field theory). The pump-probe experiment involves two light pulses: the first is an ultrashort intense pump pulse that excites the system into nonequilibrium, and the second is a lower amplitude higher frequency probe pulse that photoexcites electrons. We examine three different cases: the strongly correlated metal, the quantum-critical charge density wave and the critical Mott insulator. Our results show that the quantum critical charge density wave has an ultra efficient relaxation channel that allows electrons to be de-excited during the pump pulse, resulting in little net excitation. In contrast, the metal and the Mott insulator show excitations that are closer to what one expects from these systems. In addition, the pump field produces spectral band narrowing, peak sharpening, and a spectral gap reduction, all of which rapidly return to their field free values after the pump is over.

cond-mat.str-el↗

arXiv2016

Directly characterizing the relative strength and momentum dependence of electron-phonon coupling using resonant inelastic x-ray scattering

The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge density wave order, and metal-insulator transitions. Angle-resolved photoemission spectroscopy and both neutron and non-resonant x-ray scattering serve as effective probes for determining the behavior of appropriate, individual degrees of freedom -- the electronic structure and lattice excitation, or phonon dispersion, respectively. However, each provides less direct information about the mutual coupling between the degrees of freedom, usual through self-energy effects, which tend to renormalize and broaden spectral features precisely where the coupling is strong, impacting ones ability to quantitively characterize the coupling. Here we demonstrate that resonant inelastic x-ray scattering, or RIXS, can be an effective tool to directly determine the relative strength and momentum dependence of the electron-phonon coupling in condensed matter systems. Using a diagrammatic approach for an 8-band model of copper oxides, we study the contributions from the lowest order diagrams to the full RIXS intensity for a realistic scattering geometry, accounting for matrix element effects in the scattering cross-section as well as the momentum dependence of the electron-phonon coupling vertex. A detailed examination of these maps offers a unique perspective into the characteristics of electron-phonon coupling, which complements both neutron and non-resonant x-ray scattering, as well as Raman and infrared conductivity.

cond-mat.str-el↗

arXiv2016

Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo

We characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understanding of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.

cond-mat.str-el↗

arXiv2016

Tailoring the nature and strength of electron-phonon interactions in the SrTiO$_3$(001) two-dimensional electron liquid

Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO$_3$(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO$_3$/SrTiO$_3$ interface, our angle-resolved photoemission data show replica bands separated by 100\,meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies strong long-range coupling to a single longitudinal optical phonon mode. In the overdoped regime the preferential coupling to this mode decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow for a unified understanding of the transport properties in SrTiO$_3$-based 2DELs.

cond-mat.str-el↗

arXiv2016

Direct observation of Higgs mode oscillations in the pump-probe photoemission spectra of electron-phonon mediated superconductors

Using the non-equilibrium Keldysh formalism, we solve the equations of motion for electron-phonon superconductivity, including an ultrafast pump field. We present results for time-dependent photoemission spectra out of equilibrium which probes the dynamics of the superconducting gap edge. The partial melting of the order by the pump field leads to oscillations at twice the melted gap frequency, a hallmark of the Higgs or amplitude mode. Thus the Higgs mode can be directly excited through the nonlinear effects of an electromagnetic field and detected without any additional symmetry breaking.

cond-mat.supr-con↗

arXiv2015

Superconducting gap anisotropy in monolayer FeSe thin film

Fermi surface topology and pairing symmetry are two pivotal characteristics of a superconductor. Superconductivity in one monolayer (1ML) FeSe thin film has attracted great interest recently due to its intriguing interfacial properties and possibly high superconducting transition temperature (Tc) over 77 K. Here, we report high-resolution measurements of the Fermi surface and superconducting gaps in 1ML FeSe using angle-resolved photoemission spectroscopy (ARPES). Two ellipse-like electron pockets are clearly resolved overlapping with each other at the Brillouin zone corner. The superconducting gap is nodeless but moderately anisotropic, which put strong constraints on determining the pairing symmetry. The gap maxima locate along the major axis of ellipse, which cannot be explained by a single d-wave, extended s-wave, or s$\pm$ gap function. Four gap minima are observed at the intersection of electron pockets suggesting the existence of either a sign change or orbital-dependent pairing in 1ML FeSe.

cond-mat.supr-con↗

arXiv2015

Nonequilibrium response of an electron mediated charge-density-wave-ordered material to a large dc electric field

Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

cond-mat.str-el↗

arXiv2015

Raman and fluorescence characteristics of resonant inelastic X-ray scattering from doped superconducting cuprates

Measurements of spin excitations are essential for an understanding of spin-mediated pairing for superconductivity; and resonant inelastic X-ray scattering (RIXS) provides a considerable opportunity to probe high-energy spin excitations. However, whether RIXS correctly measures the collective spin excitations of doped superconducting cuprates remains under debate. Here we demonstrate distinct Raman- and fluorescence-like RIXS excitations of Bi$_{1.5}$Pb$_{0.6}$Sr$_{1.54}$CaCu$_{2}$O$_{8+δ}$ in the mid-infrared energy region. Combining photon-energy and momentum dependent RIXS measurements with theoretical calculations using exact diagonalization provides conclusive evidence that the Raman-like RIXS excitations correspond to collective spin excitations, which are magnons in the undoped Mott insulators and evolve into paramagnons in doped superconducting compounds. In contrast, the fluorescence-like shifts are due primarily to the continuum of particle-hole excitations in the charge channel. Our results show that under the proper experimental conditions RIXS indeed can be used to probe paramagnons in doped high-$T_c$ cuprate superconductors.

cond-mat.supr-con↗

arXiv2015

Renormalization of spectra by phase competition in the half-filled Hubbard-Holstein model

We present electron and phonon spectral functions calculated from determinant quantum Monte Carlo simulations of the half-filled two-dimensional Hubbard-Holstein model on a square lattice. By tuning the relative electron-electron ($e$-$e$) and electron-phonon ($e$-$ph$) interaction strengths, we show the electron spectral function evolving between antiferromagnetic insulating, metallic, and charge density wave insulating phases. The phonon spectra concurrently gain a strong momentum dependence and soften in energy upon approaching the charge density wave phase. In particular, we study how the $e$-$e$ and $e$-$ph$ interactions renormalize the spectra, and analyze how the interplay of these interactions influence the spectral renormalizations. We find that the presence of both interactions suppresses the amount of renormalization at low energy, thus allowing the emergence of a metallic phase. These findings demonstrate the importance of considering the influence of multiple interactions in spectroscopically determining any one interaction strength in strongly correlated materials.

cond-mat.str-el↗

arXiv2015

Doping evolution of spin and charge excitations in the Hubbard model

To shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, we examine the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to $40\%$ hole and $15\%$ electron doping (the range of dopings achieved in the cuprates). These fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.

cond-mat.str-el↗

arXiv2015

Nonequilibrium dynamical mean-field theory for the charge-density-wave phase of the Falicov-Kimball model

Nonequilibrium dynamical mean-field theory (DMFT) is developed for the case of the charge-density-wave ordered phase. We consider the spinless Falicov-Kimball model which can be solved exactly. This strongly correlated system is then placed in an uniform external dc electric field. We present a complete derivation for nonequilibrium dynamical mean-field theory Green's functions defined on the Keldysh-Schwinger time contour. We also discuss numerical issues involved in solving the coupled equations.

cond-mat.str-el↗

arXiv2015

Three-Dimensional Charge Density Wave Order in YBa2Cu3O6.67 at High Magnetic Fields

Charge density wave (CDW) correlations have recently been shown to universally exist in cuprate superconductors. However, their nature at high fields inferred from nuclear magnetic resonance is distinct from that measured by x-ray scattering at zero and low fields. Here we combine a pulsed magnet with an x-ray free electron laser to characterize the CDW in YBa2Cu3O6.67 via x-ray scattering in fields up to 28 Tesla. While the zero-field CDW order, which develops below T ~ 150 K, is essentially two-dimensional, at lower temperature and beyond 15 Tesla, another three-dimensionally ordered CDW emerges. The field-induced CDW onsets around the zero-field superconducting transition temperature, yet the incommensurate in-plane ordering vector is field-independent. This implies that the two forms of CDW and high-temperature superconductivity are intimately linked.

cond-mat.str-el↗

arXiv2015

Classification of Collective Modes in a Charge Density Wave by Momentum-Dependent Modulation of the Electronic Band Structure

We present time- and angle-resolved photoemission spectroscopy measurements on the charge density wave system CeTe$_{3}$. Optical excitation transiently populates the unoccupied band structure and reveals a gap size of 2$Δ$ = 0.59 eV. The occupied Te-5p band dispersion is coherently modified by three modes at $Ω_{1}$ = 2.2 THz, $Ω_{2}$ = 2.7 THz and $Ω_{3}$ = 3 THz. All three modes lead to small rigid energy shifts whereas $Δ$ is only affected by $Ω_{1}$ and $Ω_{2}$. Their spatial polarization is analyzed by fits of a transient model dispersion and DFT frozen phonon calculations. We conclude that the modes $Ω_{1}$ and $Ω_{2}$ result from in-plane ionic lattice motions, which modulate the charge order, and that $Ω_{3}$ originates from a generic out-of-plane $A_{1g}$ phonon. We thereby demonstrate how the rich information from trARPES allows identification of collective modes and their spatial polarization, which explains the mode-dependent coupling to charge order.

cond-mat.mtrl-sci↗

arXiv2015

Interfacial mode coupling as the origin of the enhancement of Tc in FeSe films on SrTiO3

Single unit cell films of iron selenide (1UC FeSe) grown on SrTiO3 (STO) substrates have recently shown superconducting energy gaps opening at temperatures close to the boiling point of liquid nitrogen (77 K), a record for iron-based superconductors. Towards understanding why Cooper pairs form at such high temperatures, a primary question to address is the role, if any, of the STO substrate. Here, we report high resolution angle resolved photoemission spectroscopy (ARPES) results which reveal an unexpected and unique characteristic of the 1UC FeSe/STO system: shake-off bands suggesting the presence of bosonic modes, most likely oxygen optical phonons in STO, which couple to the FeSe electrons with only small momentum transfer. Such coupling has the unusual benefit of helping superconductivity in most channels, including those mediated by spin fluctuations. Our calculations suggest such coupling is responsible for raising the superconducting gap opening temperature in 1UC FeSe/STO. This discovery suggests a pathway to engineer high temperature superconductors.

cond-mat.supr-con↗

arXiv2015

Fidelity Study of Superconductivity in Extended Hubbard Models

The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground-state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest and next-nearest neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. We find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

cond-mat.supr-con↗

arXiv2015

Magnetic excitations and phonons simultaneously studied by resonant inelastic x-ray scattering in optimally doped Bi$_{1.5}$Pb$_{0.55}$Sr$_{1.6}$La$_{0.4}$CuO$_{6+δ}$

Magnetic excitations in the optimally doped high-$T_\mathrm{c}$ superconductor Bi$_{1.5}$Pb$_{0.55}$Sr$_{1.6}$La$_{0.4}$CuO$_{6+δ}$ (OP-Bi2201, $T_\mathrm{c}\simeq 34$ K) are investigated by Cu $L_3$ edge resonant inelastic x-ray scattering (RIXS), below and above the pseudogap opening temperature. At both temperatures the broad spectral distribution disperses along the (1,0) direction up to $\sim$350~meV at zone boundary, similarly to other hole-doped cuprates. However, above $\sim$0.22 reciprocal lattice units, we observe a concurrent intensity decrease for magnetic excitations and quasi-elastic signals with weak temperature dependence. This anomaly seems to indicate a coupling between magnetic, lattice and charge modes in this compound. We also compare the magnetic excitation spectra near the anti-nodal zone boundary in the single layer OP-Bi2201 and in the bi-layer optimally doped Bi$_{1.5}$Pb$_{0.6}$Sr$_{1.54}$CaCu$_2$O$_{8+δ}$ (OP-Bi2212, $T_\mathrm{c}\simeq96$ K). The strong similarities in the paramagnon dispersion and in their energy at zone boundary indicate that the strength of the super-exchange interaction and the short-range magnetic correlation cannot be directly related to $T_\mathrm{c}$, not even within the same family of cuprates.

cond-mat.supr-con↗

arXiv2015

Distinctive momentum dependence of the band reconstruction in the nematic state of FeSe thin film

Nematic state, where the system is translationally invariant but breaks the rotational symmetry, has drawn great attentions recently due to experimental observations of such a state in both cuprates and iron-based superconductors. The mechanism of nematicity that is likely tied to the pairing mechanism of high-Tc, however, still remains controversial. Here, we studied the electronic structure of multilayer FeSe film by angle-resolved photoemission spectroscopy (ARPES). We found that the FeSe film enters the nematic state around 125 K, while the electronic signature of long range magnetic order has not been observed down to 20K indicating the non-magnetic origin of the nematicity. The band reconstruction in the nematic state is characterized by the splitting of the dxz and dyz bands. More intriguingly, such energy splitting is strong momentum dependent with the largest band splitting of ~80meV at the zone corner. The simple on-site ferro-orbital ordering is insufficient to reproduce the nontrivial momentum dependence of the band reconstruction. Instead, our results suggest that the nearest-neighbor hopping of dxz and dyz is highly anisotropic in the nematic state, the origin of which holds the key in understanding the nematicity in iron-based superconductors.

cond-mat.supr-con↗

arXiv2015

Persistent spin excitations in doped antiferromagnets revealed by resonant inelastic light scattering

How coherent quasiparticles emerge by doping quantum antiferromagnets is a key question in correlated electron systems, whose resolution is needed to elucidate the phase diagram of copper oxides. Recent resonant inelastic X-ray scattering (RIXS) experiments in hole-doped cuprates have purported to measure high-energy collective spin excitations that persist well into the overdoped regime and bear a striking resemblance to those found in the parent compound, challenging the perception that spin excitations should weaken with doping and have a diminishing effect on superconductivity. Here we show that RIXS at the Cu L3-edge indeed provides access to the spin dynamical structure factor once one considers the full influence of light polarization. Further we demonstrate that high-energy spin excitations do not correlate with the doping dependence of Tc, while low-energy excitations depend sensitively on doping and show ferromagnetic correlations. This suggests that high-energy spin excitations are marginal to pairing in cuprate superconductors.

cond-mat.str-el↗