arXiv subjects

P. J. Hirschfeld

Publications and source records attributed to P. J. Hirschfeld.

At least 91 records · Page 5Linked to original sources

arXiv2018

Using controlled disorder to probe the interplay between charge order and superconductivity in NbSe2

The interplay between superconductivity and charge density waves (CDW) in $H$-NbSe2 is not fully understood despite decades of study. Artificially introduced disorder can tip the delicate balance between two competing forms of long-range order, and reveal the underlying interactions that give rise to them. Here we introduce disorders by electron irradiation and measure in-plane resistivity, Hall resistivity, X-ray scattering, and London penetration depth. With increasing disorder, $T_{\textrm{c}}$ varies nonmonotonically, whereas $T_{\textrm{CDW}}$ monotonically decreases and becomes unresolvable above a critical irradiation dose where $T_{\textrm{c}}$ drops sharply. Our results imply that CDW order initially competes with superconductivity, but eventually assists it. We argue that at the transition where the long-range CDW order disappears, the cooperation with superconductivity is dramatically suppressed. X-ray scattering and Hall resistivity measurements reveal that the short-range CDW survives above the transition. Superconductivity persists to much higher dose levels, consistent with fully gapped superconductivity and moderate interband pairing.

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arXiv2018

Optical conductivity of overdoped cuprate superconductors: application to LSCO

We argue that recent measurements on both the superfluid density and the optical conductivity of high-quality LSCO films can be understood almost entirely within the theory of disordered BCS d-wave superconductors. The large scattering rates deduced from experiments are shown to arise predominantly from weak scatterers, probably the Sr dopants out of the CuO$_2$ plane, and correspond to significant suppression of $T_c$ relative to a pure reference state with the same doping. Our results confirm the "conventional" viewpoint that the overdoped side of the cuprate phase diagram can be viewed as approaching the BCS weak-coupling description of the superconducting state, with significant many-body renormalization of the plasma frequency. They suggest that, while some of the decrease in $T_c$ with overdoping may be due to weakening of the pairing, disorder plays an essential role.

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arXiv2017

Detecting sign-changing superconducting gap in LiFeAs using quasiparticle interference

Using a realistic ten-orbital tight-binding model Hamiltonian fitted to the angle-resolved photoemission (ARPES) data on LiFeAs, we analyze the temperature, frequency, and momentum dependencies of quasiparticle interference (QPI) to identify gap sign changes in a qualitative way, following our original proposal [Phys. Rev. B 92, 184513 (2015)]. We show that all features present for the simple two-band model for the sign-changing $s_{+-}$-wave superconducting gap employed previously are still present in the realistic tight-binding approximation and gap values observed experimentally. We discuss various superconducting gap structures proposed for LiFeAs, and identify various features of these superconducting gaps functions in the quasiparticle interference patterns. On the other hand, we show that it will be difficult to identify the more complicated possible sign structures of the hole pocket gaps in LiFeAs, due to the smallness of the pockets and the near proximity of two of the gap energies.

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arXiv2017

Universality of scanning tunneling microscopy in cuprate superconductors

We consider the problem of local tunneling into cuprate superconductors, combining model based calculations for the superconducting order parameter with wavefunction information obtained from first principles electronic structure. For some time it has been proposed that scanning tunneling microscopy (STM) spectra do not reflect the properties of the superconducting layer in the CuO$_2$ plane directly beneath the STM tip, but rather a weighted sum of spatially proximate states determined by the details of the tunneling process. These "filter" ideas have been countered with the argument that similar conductance patterns have been seen around impurities and charge ordered states in systems with atomically quite different barrier layers. Here we use a recently developed Wannier function based method to calculate topographies, spectra, conductance maps and normalized conductance maps close to impurities. We find that it is the local planar Cu $d_{x^2-y^2}$ Wannier function, qualitatively similar for many systems, that controls the form of the tunneling spectrum and the spatial patterns near perturbations. We explain how, despite the fact that STM observables depend on the materials-specific details of the tunneling process and setup parameters, there is an overall universality in the qualitative features of conductance spectra. In particular, we discuss why STM results on Bi$_2$Sr$_2$CaCu$_2$O$_8$ and Ca$_{2-x}$Na$_x$CuO$_2$Cl$_2$ are essentially identical.

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arXiv2017

Orbital selective pairing and gap structures of iron-based superconductors

We discuss the influence on spin-fluctuation pairing theory of orbital selective strong correlation effects in Fe-based superconductors, particularly Fe chalcogenide systems. We propose that a key ingredient for an improved itinerant pairing theory is orbital selectivity, i.e., incorporating the reduced coherence of quasiparticles occupying specific orbital states. This modifies the usual spin-fluctuation via suppression of pair scattering processes involving those less coherent states and results in orbital selective Cooper pairing of electrons in the remaining states. We show that this paradigm yields remarkably good agreement with the experimentally observed anisotropic gap structures in both bulk and monolayer FeSe, as well as LiFeAs, indicating that orbital selective Cooper pairing plays a key role in the more strongly correlated iron-based superconductors.

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arXiv2017

Conservation laws, vertex corrections, and screening in Raman spectroscopy

We present a microscopic theory for the Raman response of a clean multiband superconductor accounting for the effects of vertex corrections and long-range Coulomb interaction. The measured Raman intensity, $R(Ω)$, is proportional to the imaginary part of the fully renormalized particle-hole correlator with Raman form-factors $γ(\vec k)$. In a BCS superconductor, a bare Raman bubble is non-zero for any $γ(\vec k)$ and diverges at $Ω= 2Δ+0$, where $Δ$ is the largest gap along the Fermi surface. However, for $γ(\vec k) =$ const, the full $R(Ω)$ is expected to vanish due to particle number conservation. It was long thought that this vanishing is due to the singular screening by long-range Coulomb interaction. We argue that this vanishing actually holds due to vertex corrections from the same short-range interaction that gives rise to superconductivity. We further argue that long-range Coulomb interaction does not affect the Raman signal for $any$ $γ(\vec k)$. We argue that vertex corrections eliminate the divergence at $2Δ$ and replace it with a maximum at a somewhat larger frequency. We also argue that vertex corrections give rise to sharp peaks in $R(Ω)$ at $Ω< 2Δ$, when $Ω$ coincides with the frequency of one of collective modes in a superconductor, e.g, Leggett mode, Bardasis-Schrieffer mode, or an excitonic mode.

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arXiv2017

Robustness of Quasiparticle Interference Test for Sign-changing Gaps in Multiband Superconductors

Recently, a test for a sign-changing gap function in a candidate multiband unconventional superconductor involving quasiparticle interference data was proposed. The test was based on the antisymmetric, Fourier transformed conductance maps integrated over a range of momenta $\bf q$ corresponding to interband processes, which was argued to display a particular resonant form, provided the gaps changed sign between the Fermi surface sheets connected by $\bf q$. The calculation was performed for a single impurity, however, raising the question of how robust this measure is as a test of sign-changing pairing in a realistic system with many impurities. Here we reproduce the results of the previous work within a model with two distinct Fermi surface sheets, and show explicitly that the previous result, while exact for a single nonmagnetic scatterer and also in the limit of a dense set of random impurities, can be difficult to implement for a few dilute impurities. In this case, however, appropriate isolation of a single impurity is sufficient to recover the expected result, allowing a robust statement about the gap signs to be made.

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arXiv2017

Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model

In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. Here we examine these terms and discuss the relationship between the matrix-RPA superconducting pairing interaction and the Feynman diagrams that it sums.

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arXiv2016

Towards a quantitative description of tunneling conductance of superconductors: application to LiFeAs

Since the discovery of iron-based superconductors, a number of theories have been put forward to explain the qualitative origin of pairing, but there have been few attempts to make quantitative, material-specific comparisons to experimental results. The spin-fluctuation theory of electronic pairing, based on first-principles electronic structure calculations, makes predictions for the superconducting gap. Within the same framework, the surface wave functions may also be calculated, allowing, e.g., for detailed comparisons between theoretical results and measured scanning tunneling topographs and spectra. Here we present such a comparison between theory and experiment on the Fe-based superconductor LiFeAs. Results for the homogeneous surface as well as impurity states are presented as a benchmark test of the theory. For the homogeneous system, we argue that the maxima of topographic image intensity may be located at positions above either the As or Li atoms, depending on tip height and the setpoint current of the measurement. We further report the experimental observation of transitions between As and Li-registered lattices as functions of both tip height and setpoint bias, in agreement with this prediction. Next, we give a detailed comparison between the simulated scanning tunneling microscopy images of transition-metal defects with experiment. Finally, we discuss possible extensions of the current framework to obtain a theory with true predictive power for scanning tunneling microscopy in Fe-based systems.

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arXiv2016

Probing the pairing interaction and multiple Bardasis-Schrieffer modes using Raman spectroscopy

In unconventional superconductors, understanding the form of the pairing interaction is the primary goal. In this regard, Raman spectroscopy is a very useful tool, as it identifies the ground state and also the subleading pairing channels by probing collective modes. Here we propose a general theory for multiband Raman response and identify new features in the spectrum that can provide a robust test for a pairing theory. We identify multiple Bardasis-Schrieffer type collective modes and connect the weights of these modes to the sub-leading gap structures within a microscopic pairing theory. The conclusions are completely general, and we apply our approach to interpret the B1g Raman scattering in hole-doped BaFe2As2.

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arXiv2016

Pressure-induced superconductivity in the giant Rashba system BiTeI

At ambient pressure, BiTeI is the first material found to exhibit a giant Rashba splitting of the bulk electronic bands. At low pressures, BiTeI undergoes a transition from trivial insulator to topological insulator. At still higher pressures, two structural transitions are known to occur. We have carried out a series of electrical resistivity and AC magnetic susceptibility measurements on BiTeI at pressure up to ~40 GPa in an effort to characterize the properties of the high-pressure phases. A previous calculation found that the high-pressure orthorhombic P4/nmm structure BiTeI is a metal. We find that this structure is superconducting with Tc values as high as 6 K. AC magnetic susceptibility measurements support the bulk nature of the superconductivity. Using electronic structure and phonon calculations, we compute Tc and find that our data is consistent with phonon-mediated superconductivity.

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arXiv2016

Energy Gap Evolution Across the Superconductivity Dome in Single Crystals of (Ba$_{1-x}$K$_x$)Fe$_2$As$_2$

The mechanism of unconventional superconductivity in iron-based superconductors (IBSs) is one of the most intriguing questions in current materials research. Among non-oxide IBSs, (Ba$_{1-x}$K$_x$)Fe$_2$As$_2$ has been intensively studied because of its high superconducting transition temperature and fascinating evolution of the superconducting gap structure from being fully isotropic at optimal doping ($x\approx$0.4) to becoming nodal at $x > $0.8. Although this marked evolution was identified in several independent experiments, there are no details of the gap evolution to date because of the lack of high-quality single crystals covering the entire K-doping range of the superconducting dome. We conducted a systematic study of the London penetration depth, $λ(T)$, across the full phase diagram for different concentrations of point-like defects introduced by 2.5 MeV electron irradiation. Fitting the low-temperature variation with the power law, $Δλ\sim T^{n}$, we find that the exponent $n$ is the highest and $T_c$ suppression rate with disorder is the smallest at optimal doping, and they evolve with doping being away from optimal, which is consistent with increasing gap anisotropy, including an abrupt change around $x\simeq 0.8$, indicating the onset of nodal behavior. Our analysis using a self-consistent $t$-matrix approach suggests the ubiquitous and robust nature of s$_{\pm}$ pairing in IBSs and argues against a previously suggested transition to a $d-$wave state near $x=1$ in this system.

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arXiv2016

Effect of disorder on the competition between nematic and superconducting order in FeSe

Crystalline FeSe is known to display strong nematic order below a weak tetragonal-orthorhombic structural transition around $T_s\sim 90$K, and a superconducting transition at $T_c\sim 9K$. Recently, it was shown that electron irradiation, which creates pointlike potential scattering defects, has the surprising effect of enhancing $T_c$ while suppressing $T_s$. Here we discuss a possible scenario for such an effect, which postulates a competition between $s_\pm$ superconductivity and nematic order. The transition to the nematic state is modeled by a mean field theory of a $d$-wave Pomeranchuk instability, together with a Cooper pairing interaction in both one- and multiband models. The effect of nonmagnetic impurities on both orders is treated on equal footing within the Born approximation. We find evidence that disorder can indeed enhance $T_c$ while suppressing the competition with nematic order, but only in a multiband situation. We discuss our results in the context of experimental data on FeSe crystals.

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arXiv2016

Incommensurate charge ordered states in the $\mathit{t-t^{\prime}-J}$ model

We study the incommensurate charge ordered states in the $\mathit{t-t^{\prime}-J}$ model using the Gutzwiller mean field theory on large systems. In particular, we explore the properties of incommensurate charge modulated states referred to as nodal pair density waves (nPDW) in the literature. nPDW states intertwine site and bond charge order with modulated $d$-wave pair order, and are characterized by a nonzero amplitude of uniform pairing; they also manifest a dominant intra-unit cell $d$-density wave form factor. To compare with a recent scanning tunneling microscopy (STM) study [Hamidian \textit{et al.}, Nat. Phys. 3519 (2015)] of the cuprate superconductor BSCCO-2212, we compute the continuum local density of states (LDOS) at a typical STM tip height using the Wannier function based approach. By Fourier transforming Cu and O sub-lattice LDOS we also obtain bias-dependent intra-unit cell form factors and spatial phase difference. We find that in the nPDW state the behavior of form factors and spatial phase difference as a function of energy agrees remarkably well with the experiment. This is in contrast to commensurate charge modulated states, which we show do not agree with experiment. We propose that the nPDW states are good candidates for the charge density wave phase observed in the superconducting state of underdoped cuprates.

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arXiv2016

Spin-orbit coupling in Fe-based superconductors

We study the spin resonance peak in recently discovered iron-based superconductors. The resonance peak observed in inelastic neutron scattering experiments agrees well with predicted results for the extended $s$-wave ($s_\pm$) gap symmetry. Recent neutron scattering measurements show that there is a disparity between longitudinal and transverse components of the dynamical spin susceptibility. Such breaking of the spin-rotational invariance in the spin-liquid phase can occur due to spin-orbit coupling. We study the role of the spin-orbit interaction in the multiorbital model for Fe-pnictides and show how it affects the spin resonance feature.

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arXiv2016

Impact of Iron-site defects on Superconductivity in LiFeAs

In conventional s-wave superconductors, only magnetic impurities exhibit impurity bound states, whereas for an s+- order parameter they can occur for both magnetic and non-magnetic impurities. Impurity bound states in superconductors can thus provide important insight into the order parameter. Here, we present a combined experimental and theoretical study of native and engineered iron-site defects in LiFeAs. Detailed comparison of tunneling spectra measured on impurities with spin fluctuation theory reveals a continuous evolution from negligible impurity bound state features for weaker scattering potential to clearly detectable states for somewhat stronger scattering potentials. All bound states for these intermediate strength potentials are pinned at or close to the gap edge of the smaller gap, a phenomenon that we explain and ascribe to multi-orbital physics.

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arXiv2016

Superconducting phase diagram of itinerant antiferromagnets

We study the phase diagram of the Hubbard model in the weak-coupling limit for coexisting spin-density-wave order and spin-fluctuation-mediated superconductivity. Both longitudinal and transverse spin fluctuations contribute significantly to the effective interaction potential, which creates Cooper pairs of the quasi-particles of the antiferromagnetic metallic state. We find a dominant $d_{x^2-y^2}$-wave solution in both electron- and hole-doped cases. In the quasi-spin triplet channel, the longitudinal fluctuations give rise to an effective attraction supporting a $p$-wave gap, but are overcome by repulsive contributions from the transverse fluctuations which disfavor $p$-wave pairing compared to $d_{x^2-y^2}$. The sub-leading pair instability is found to be in the $g$-wave channel, but complex admixtures of $d$ and $g$ are not energetically favored since their nodal structures coincide. Inclusion of interband pairing, in which each fermion in the Cooper pair belongs to a different spin-density-wave band, is considered for a range of electron dopings in the regime of well-developed magnetic order. We demonstrate that these interband pairing gaps, which are non-zero in the magnetic state, must have the same parity under inversion as the normal intraband gaps. The self-consistent solution to the full system of five coupled gap equations give intraband and interband pairing gaps of $d_{x^2-y^2}$ structure and similar gap magnitude. In conclusion, the $d_{x^2-y^2}$ gap dominates for both hole and electron doping inside the spin-density-wave phase.

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arXiv2016

Effect of nonmagnetic impurities on $s_\pm$ superconductivity in the presence of incipient bands

Several Fe chalcogenide superconductors without hole pockets at the Fermi level display high temperature superconductivity, in apparent contradiction to naive spin fluctuation pairing arguments. Recently, scanning tunneling microscopy measurements have measured the influence of impurities on some of these materials, and claimed that non-magnetic impurities do not create in-gap states, leading to the conclusion that the gap must be $s_{++}$, i.e. conventional $s$ wave with no gap sign change. Here we critique this argument, and give various ways sign-changing gaps can be consistent with the absence of such bound states. In particular, we calculate the bound states for an $s_\pm$ system with a hole pocket below the Fermi level, and show that the nonmagnetic impurity bound state energy generically tracks the gap edge $E_{min}$ in the system, thereby rendering it unobservable. A failure to observe a bound state in the case of a nonmagnetic impurity can therefore not be used as an argument to exclude sign-changing pairing states.

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