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D. J. Scalapino

Publications and source records attributed to D. J. Scalapino.

At least 19 recordsLinked to original sources

A bound on superconducting $T_c$'s

It is notoriously difficult to make quantitative theoretical predictions of the superconducting $T_c$, either from first-principles or even from a knowledge of normal state properties. Ultimately, this reflects the fact that the energy scales involved in the superconducting state are extremely small in natural units, and that $T_c$ depends exponentially on a subtle interplay between different interactions so that small uncertainties in microscopic processes can lead to order 1 effects on $T_c$. However, in some circumstances, it may be possible to determine (approximate) bounds on $T_c$. Here, we propose such a bound for the conventional phonon-mediated mechanism of pairing with strongly retarded interactions, i.e. in the case in which $\hbar\bar ω\ll E_F$ where $\bar ω$ is an appropriate characteristic phonon frequency and $E_F$ is the Fermi energy. Specifically, drawing on both empirical results (shown in Figure 2 below) and recent results[1] of determinant quantum Monte Carlo (DQMC) studies of the paradigmatic Holstein model, we propose that \begin{equation} k_B T_c \leq A_{max} \ \hbar \bar ω\end{equation} where $A_{max}$ is a dimensionless number of order one that we estimate to be \begin{equation} A_{max} \approx 1/10. \end{equation}

cond-mat.supr-con↗

Dependence of $T_c$ on the $q-ω$ structure of the spin-fluctuation spectrum

A phenomenological spin-fluctuation analysis (Ref. 1), based upon inelastic neutron scattering (INS) and angular resolved photoemission spectroscopy (ARPES) data for ${\rm YBCO}_{6.6}(T_c=61K)$, is used to calculate the functional derivative of the d-wave eigenvalue $λ_d$ of the linearized gap equation with respect to the imaginary part of the spin susceptibility $χ''(q,ω)$ at 70K. For temperatures near $T_c$, the variation of $T_c$ with respect to $χ''(q,ω)$ is proportional to this functional derivative. Based on this, we discuss how different parts of the $q$ and $ω$ dependent spin-fluctuation spectrum of YBCO$_{6.6}$ contribute to $T_c$.

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Pairing in the Presence of a Pseudogap

Evidence that the pseudogap (PG) in a near-optimally doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ sample destroys the BCS logarithmic pairing instability [1] raises again the question of the role of the PG in the high-temperature superconducting cuprates [2]. The elimination of the BCS instability is consistent with the view that the PG competes with superconductivity. However, as noted in [1], the onset of superconductivity with a $T_c \sim 90$ K suggests an alternative scenario in which the PG reflects the formation of short range pairing correlations. Here, we report results obtained from a dynamic cluster quantum Monte Carlo approximation (DCA) for a 2D Hubbard model and conclude that (1) the PG, like the superconductivity, arises due to short-range antiferromagnetic correlations and (2) contrary to the usual case in which the pairing instability arises from the Cooper instability, here, the strength of the spin-fluctuations increases as the temperature decreases leading to the pairing instability.

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Glide-Plane Symmetry and Superconducting Gap Structure of Iron-Based Superconductors

We consider the effect of glide-plane symmetry of the Fe-pnictogen/chalcogen layer in Fe-based superconductors on pairing in spin fluctuation models. Recent theories have proposed that so-called $η$-pairing states with nonzero total momentum can be realized and possess exotic properties such as odd parity spin singlet symmetry and time-reversal symmetry breaking. Here we show that $η$ pairing is inevitable when there is orbital weight at the Fermi level from orbitals with even and odd mirror reflection symmetry in $z$; however, by explicit calculation, we conclude that the gap function that appears in observable quantities is identical to that found in earlier, 1 Fe per unit cell pseudocrystal momentum calculations.

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Doping Asymmetry of a 3-orbital CuO$_2$ Hubbard Model

While both the hole and electron doped cuprates can exhibit $d_{x^2-y^2}$-wave superconductivity, the local distribution of the doped carriers is known to be significantly different with the doped holes going primarily on the O sites while the doped electrons go on the Cu sites. Here we report the results of density matrix renormalization calculations for a three-orbital model of a CuO$_2$ lattice. In addition to the asymmetric dependence of the intra-unit-cell occupation of the Cu and O for hole and electron doping, we find important differences in the longer range spin and charge correlations. As expected, the pair-field response has a $d_{x^2-y^2}$-like structure for both the hole and electron doped systems.

cond-mat.str-el↗

One hole in the two-leg t-J ladder and adiabatic continuity to the non-interacting limit

We have carried out density-matrix-renormalization group (DMRG) calculations for the problem of one doped hole in a two-leg $t-J$ ladder. Recent studies have concluded that exotic "Mott" physics --- arising from the projection onto the space of no double-occupied sites --- is manifest in this model system, leading to charge localization and a new mechanism for charge modulation. In contrast, we show that there is no localization and that the charge density modulation arises when the minimum in the quasiparticle dispersion moves away from $π$. Although singular changes in the quasiparticle dispersion do occur as a function of model parameters, all the DMRG results can be qualitatively understood from a non-interacting "band-structure" perspective.

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A balancing act: Evidence for a strong subdominant d-wave pairing channel in ${\rm Ba_{0.6}K_{0.4}Fe_2As_2}$

We present an analysis of the Raman spectra of optimally doped ${\rm Ba_{0.6}K_{0.4}Fe_2As_2}$ based on LDA band structure calculations and the subsequent estimation of effective Raman vertices. Experimentally a narrow, emergent mode appears in the $B_{1g}$ ($d_{x^2-y^2}$) Raman spectra only below $T_c$, well into the superconducting state and at an energy below twice the energy gap on the electron Fermi surface sheets. The Raman spectra can be reproduced quantitatively with estimates for the magnitude and momentum space structure of the s$_{+-}$ pairing gap on different Fermi surface sheets, as well as the identification of the emergent sharp feature as a Bardasis-Schrieffer exciton, formed as a Cooper pair bound state in a subdominant $d_{x^2-y^2}$ channel. The binding energy of the exciton relative to the gap edge shows that the coupling strength in this subdominant $d_{x^2-y^2}$ channel is as strong as 60% of that in the dominant $s_{+-}$ channel. This result suggests that $d_{x^2-y^2}$ may be the dominant pairing symmetry in Fe-based sperconductors which lack central hole bands.

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Pairing interaction near a nematic QCP of a 3-band CuO$_2$ model

Here we calculate the strength of the $d$-wave pairing and the $k$ dependence of the gap function associated with the nematic fluctuations of a CuO$_2$ model as the doping $p$ approaches a quantum critical point. Higher order $d$-wave harmonics contribute to the $k$ dependence of the resulting superconducting gap function reflecting the longer range nature of the nematic pairing interaction.

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Superconducting gap in LiFeAs from three-dimensional spin-fluctuation pairing calculations

The lack of nesting of the electron and hole Fermi-surface sheets in the Fe-based superconductor LiFeAs, with a critical temperature of 18 K, has led to questions as to whether the origin of superconductivity in this material might be different from other Fe-based superconductors. Both angle-resolved photoemission and quasiparticle interference experiments have reported fully gapped superconducting order parameters with significant anisotropy. The system is also of interest because relatively strong correlations seem to be responsible for significant renormalization of the hole bands. Here we present calculations of the superconducting gap and pairing in the random-phase approximation using Fermi surfaces derived from measured photoemission spectra. The qualitative features of the gaps obtained in these calculations are shown to be different from previous two-dimensional theoretical works, and in good agreement with experiment on the main Fermi surface pockets. We analyze the contributions to the pairing vertex thus obtained and show that the scattering processes between electron and hole pockets that are believed to dominate the pairing in other Fe-based superconductors continue to do so in LiFeAs despite the lack of nesting, leading to gaps with anisotropic $s_\pm$ structure. Some interesting differences relating to the enhanced $d_{xy}$ orbital content of the LiFeAs Fermi surface are noted.

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Spin fluctuations and superconductivity in KxFe{2-y}Se2

Superconductivity in alkali-intercalated iron selenide, with T_c's of 30K and above, may have a different origin than that of the other Fe-based superconductors, since it appears that the Fermi surface does not have any holelike sheets centered around the Gamma point. Here we investigate the symmetry of the superconducting gap in the framework of spin-fluctuation pairing calculations using density functional theory bands downfolded onto a three-dimensional (3D), ten-orbital tight-binding model, treating the interactions in the random-phase approximation (RPA). We find a leading instability towards a state with d-wave symmetry, but show that the details of the gap function depend sensitively on electronic structure. As required by crystal symmetry, quasi-nodes on electron pockets always occur, but are shown to be either horizontal, looplike or vertical depending on details. A variety of other 3D gap structures, including bonding-antibonding s-symmetry states which change sign between inner and outer electron pockets are found to be subdominant. We then investigate the possibility that spin-orbit coupling effects on the one-electron band structure, which lead to enhanced splitting of the two M-centered electron pockets in the 2-Fe zone, may stabilize the bonding-antibonding s_+/- wave states. Finally, we discuss our results in the context of current phenomenological theories and experiments.

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Changes in the self-energy and d-wave pairing strength with doping in overdoped La(2-x)Sr(x)CuO4

Angle resolved photoemission spectroscopy (ARPES) studies of the overdoped cuprate superconductor La$_{2-x}$Sr$_x$CuO$_4$ find only small changes in the near nodal electron self energy over a spectral range of several hundred meV as the doping increases from x=0.2 to x=0.3 and the superconducting transition temperature T_c decreases from 32K to 0K. These measurements put constraints on the structure of the electron-electron interaction. Here we show that a spin-fluctuation interaction leads to behavior which is consistent with these experimental results.

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Three-orbital study on the orbital distillation effect in the high Tc cuprates

Our recent study has revealed that the mixture of the dz2 orbital component into the Fermi surface suppresses Tc in the cuprates such as La2CuO4. We have also shown that applying hydrostatic pressure enhances Tc due to smaller mixing of the Cu4s component. We call these the "orbital distillation" effect. In our previous study, the 4s orbital was taken into account through the hoppings in the dx2-y2 sector, but here we consider a model in which of the dx2-y2, dz2 and 4s orbitals are all considered explicitly. The present study reinforces our conclusion that smaller 4s hybridization further enhances Tc.

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A Common Thread: the pairing interaction for the unconventional superconductors

The structures, the phase diagrams, and the appearance of a neutron resonance signaling an unconventional superconducting state provide phenomenological evidence relating the cuprates, the Fe-pnictides/chalcogenides as well as some heavy fermion and actinide materials. Single- and multi-band Hubbard models have been found to describe a number of the observed properties of these materials so that it is reasonable to examine the origin of the pairing interaction in these models. In this review, based on the experimental phenomenology and studies of the pairing interaction for Hubbard-like models, it is proposed that spin-fluctuation mediated pairing is the common thread linking a broad class of superconducting materials.

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Evolution of the neutron resonances in AFe2Se2

Recent experiments on the alkali-intercalated iron selenides have raised questions about the symmetry of the superconducting phase. Random phase approximation calculations of the leading pairing eigenstate for a tight- binding 5-orbital Hubbard-Hund model of AFe2Se2 find that a d-wave (B1g) state evolves into an extended s{\pm} (A1g) state as the system is hole-doped. However, over a range of doping these two states are nearly degenerate. Here, we calculate the imaginary part of the magnetic spin susceptibility χ"(q,ω) for these gaps and discuss how the evolution of neutron scattering resonances can distinguish between them.

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Stripe Structures in the t-t'-J Model

Here, based upon density matrix renormalization group calculations, we discuss the structure of the stripes found in the doped $t$-$t^\prime$-$J$ model and the physics that underlies their formation.

cond-mat.str-el↗

Pair Structure and the Pairing Interaction in a Bilayer Hubbard Model

The bilayer Hubbard model with an intra-layer hopping $t$ and an inter-layer hopping $t_\perp$ provides an interesting testing ground for several aspects of what has been called unconventional superconductivity. One can study the type of pair structures which arise when there are multiple Fermi surfaces. One can also examine the pairing for a system in which the structure of the spin-fluctuation spectral weight can be changed. Using a dynamic cluster quantum Monte Carlo approximation, we find that near half-filling, if the splitting between the bonding and anti-bonding bands $t_\perp/t$ is small, the gap has $B_{1g}$ ($d_{x^2-y^2}$-wave) symmetry but when the splitting becomes larger, $A_{1g}$ ($s^\pm$-wave) pairing is favored. We also find that in the $s^\pm$ pairing region, the pairing is driven by inter-layer spin fluctuations and that $T_c$ is enhanced.

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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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