arXiv subjects

P. J. Hirschfeld

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

At least 127 records · Page 7Linked to original sources

arXiv2014

Effect of electron irradiation on superconductivity in single crystals of Ba(Fe$_{1-x}$Ru$_{x}$)$_2$As$_2$ ($x=$0.24)

A single crystal of isovalently substituted Ba(Fe$_{1-x}$Ru$_{x}$)$_2$As$_2$ ($x=0.24$) was sequentially irradiated with 2.5 MeV electrons up to a maximum dose of $2.1 \times 10^{19}$ electrons/cm^2. The electrical resistivity was measured \textit{in - situ} at $T=$22 K during the irradiation and \textit{ex - situ} as a function of temperature between subsequent irradiation runs. Upon irradiation, the superconducting transition temperature, $T_c$, decreases and the residual resistivity, $ρ_0$, increases. We find that electron irradiation leads to the fastest suppression of $T_c$ compared to other types of artificially introduced disorder, probably due to the strong short-range potential of the point-like irradiation defects. A more detailed analysis within a multiband scenario with variable scattering potential strength shows that the observed $T_c$ vs. $ρ_0$ is fully compatible with $s_\pm$ pairing, in contrast to earlier claims that this model leads to a too rapid a suppression of $T_c$ with scattering.

cond-mat.supr-con↗

arXiv2014

Do Se vacancies electron dope monolayer FeSe?

Following the discovery of the potentially very high temperature superconductivity in monolayer FeSe we investigate the doping effect of Se vacancies in these materials. We find that Se vacancies pull a vacancy centered orbital below the Fermi energy that absorbs most of the doped electrons. Furthermore we find that the disorder induced broadening causes an effective hole doping. The surprising net result is that in terms of the band structure Se vacancies behave like hole dopants rather than electron dopants. Our results exclude Se vacancies as the origin of the large electron pockets measured by angle resolved photoemission spectroscopy.

cond-mat.supr-con↗

arXiv2013

Doping asymmetry of superconductivity coexisting with antiferromagnetism in spin fluctuation theory

We generalize the theory of Cooper pairing by spin excitations in the metallic antiferromagnetic state to include situations with electron and/or hole pockets. We show that Cooper pairing arises from transverse spin waves and from gapped longitudinal spin fluctuations of comparable strength. However, each of these interactions, projected on a particular symmetry of the superconducting gap, acts primarily within one type of pocket. We find a nodeless $d_{x^2-y^2}$-wave state is supported primarily by the longitudinal fluctuations on the electron pockets, and both transverse and longitudinal fluctuations support nodeless odd-parity spin singlet $p-$wave symmetry on the hole pockets. Our results may be relevant to the asymmetry of the AF/SC coexistence state in the cuprate phase diagram, as well as for the "nodal gap" observed recently for strongly underdoped cuprates.

cond-mat.supr-con↗

arXiv2013

Using controlled disorder to distinguish $s_\pm$ and $s_{++}$ gap structure in Fe-based superconductors

We reconsider the effect of disorder on the properties of a superconductor characterized by a sign-changing order parameter appropriate for Fe-based materials. Within a simple two band model, we calculate simultaneously $T_c$, the change in residual resistivity $Δρ_0$, and the zero-energy density of states, and show how these results change for various types of gap structures and assumptions regarding the impurity scattering. The rate of $T_c$ suppression is shown to vary dramatically according to details of the impurity model considered. We search therefore for a practical, experimentally oriented signature of a gap of the $s_\pm$ type, and propose that observation of particular evolution of the penetration depth, nuclear magnetic resonance relaxation rate, or thermal conductivity temperature dependence with disorder would suffice.

cond-mat.supr-con↗

arXiv2013

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.

cond-mat.supr-con↗

arXiv2013

Origin of electronic dimers in the spin-density wave phase of Fe-based superconductors

We investigate the emergent impurity-induced states arising from point-like scatterers in the spin-density wave phase of iron-based superconductors within a microscopic five-band model. Independent of the details of the band-structure and disorder potential, it is shown how stable magnetic (pi,pi) unidirectional nematogens are formed locally by the impurities. Interestingly, these nematogens exhibit a dimer structure in the electronic density, are directed along the antiferromagnetic a-axis, and have typical lengths of order 10 lattice constants in excellent agreement with recent scanning tunnelling experiments. These electronic dimers provide a natural explanation of the dopant-induced transport anisotropy found e.g. in the 122 iron pnictides.

cond-mat.supr-con↗

arXiv2013

Impurity states and cooperative magnetic order in Fe-based superconductors

We study impurity bound states and impurity-induced order in the superconducting state of LiFeAs within a realistic five-band model based on the band structure and impurity potentials obtained from density functional theory (DFT). In agreement with recent experiments, we find that Co impurities are too weak produce sub-gap bound states, whereas stronger impurities like Cu do. We also obtain the bound state spectrum for magnetic impurities, such as Mn, and show how spin-resolved tunnelling may determine the nature of the various defect sites in iron pnictides, a prerequisite for using impurity bound states as a probe of the ground state pairing symmetry. Lastly we show how impurities pin both orbital and magnetic order, providing an explanation for a growing set of experimental evidence for unusual magnetic phases in doped iron pnictides.

cond-mat.supr-con↗

arXiv2013

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.

cond-mat.supr-con↗

arXiv2013

Low-energy bound states at interfaces between superconducting and block antiferromagnet regions in KxFe{2-y}Se2

The high-Tc alkali doped iron selenide superconductors KxFe{2-y}Se2 have been recently shown to be intrinsically phase separated into Fe vacancy ordered block antiferromagnetic regions and superconducting regions at low temperatures. In this work, we use a microscopic five orbital Hubbard model to obtain the electronic low-energy states near the interfaces between block antiferromagnets and superconductors. It is found that abundant low-energy in-gap bound states exist near such interfaces irrespective of whether the superconductor has d- or s-wave pairing symmetry. By contrast, it is shown how nonmagnetic scattering planes can provide a natural means to distinguish between these two leading pairing instabilities of the KxFe{2-y}Se2 materials.

cond-mat.supr-con↗

arXiv2012

Effects of disordered Ru substitution in BaFe$_2$As$_2$: Realization of superdiffusion mechanism in real materials

An unexpected insensitivity of the Fermi surface to impurity scattering is found in Ru substituted BaFe$_2$As$_2$ from first-principles theory, offering a natural explanation of the unusual resilience of transport and superconductivity to a high level of disordered substitution in this material. This robustness is shown to originate from a coherent interference of correlated on-site and inter-site impurity scattering, similar in spirit to the microscopic mechanism of superdiffusion in one dimension. Our result also demonstrates a strong substitution dependence of the Fermi surface and carrier concentration, and provides a natural resolution to current discrepancies in recent photoelectron spectroscopy. These effects offer a natural explanation of the diminishing long-range magnetic, orbital and superconducting order with high substitution.

cond-mat.supr-con↗

arXiv2012

Spin excitations in layered antiferromagnetic metals and superconductors

The proximity of antiferromagnetic order in high-temperature superconducting materials is considered a possible clue to the electronic excitations which form superconducting pairs. Here we study the transverse and longitudinal spin excitation spectrum in a one-band model in the pure spin density wave (SDW) state and in the coexistence state of SDW and the superconductivity. We start from a Stoner insulator and study the evolution of the spectrum with doping, including distinct situations with only hole pockets, with only electron pockets and with pockets of both types. In addition to the usual spin-wave modes, in the partially gapped cases we find significant weight of low-energy particle-hole excitations. We discuss the implications of our findings for neutron scattering experiments and for theories of Cooper-pairing in the metallic SDW state.

cond-mat.supr-con↗

arXiv2012

Specific Heat To Hc2: Evidence for Nodes or Deep Minima in the Superconducting Gap of Under- and Overdoped Ba(Fe1-xCox)2As2

Low temperature specific heat, C, in magnetic fields up to Hc2 is reported for underdoped Ba(Fe0.955Co0.045)2As2 (Tc=8 K) and for three overdoped samples Ba(Fe1-xCox)2As2 (x=0.103, 0.13, and 0.15, Tc=17.2, 16.5, and 11.7 K respectively). Previous measurements of thermal conductivity (as a function of temperature and field) and penetration depth on comparable composition samples gave some disagreement as to whether there was fully gapped/nodal behavior in the under-/overdoped materials respectively. The present work shows that the measured behavior of the specific heat gamma (proportional to C/T as T->0, i. e. a measure of the electronic density of states at the Fermi energy) as a function of field approximately obeys gamma proportional to H**(0.5 +- 0.1), similar to the Volovik effect for nodal superconductors, for both the underdoped and the most overdoped Co samples. However, for the two overdoped compositions x=0.103 and 0.13, the low field (H < 10 T) data show a Volovik-like behavior of gamma proportional to H**(0.3-0.4), followed by an inflection point, followed at higher fields by gamma proportional to H**1. We argue that within the 2-band theory of superconductivity, an inflection point may occur if the interband coupling is dominant.

cond-mat.supr-con↗

arXiv2012

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.

cond-mat.supr-con↗

arXiv2012

Modulations of the local pairing interaction near magnetic impurities in d-wave superconductors

The spin-fluctuation based pairing mechanism has proven successful in explaining the pairing symmetries due to Fermi surface nesting of both cuprates and iron-based materials. In this work, we study signatures of a spin-fluctuation mediated pairing at the local scale. Specifically, we focus on magnetic impurities and calculate both the local antiferromagnetism and the resulting modulated pairing interaction. The latter gives rise to distinct local enhancements of the superconducting gap in the immediate vicinity of the impurities. Our results show that Coulomb-driven pairing naturally leads to unusual superconducting gap modulations near disorder potentials.

cond-mat.supr-con↗

arXiv2012

Local modulations of the spin-fluctuation mediated pairing interaction by impurities in d-wave superconductors

We present a self-consistent real space formulation of spin-fluctuation mediated d-wave pairing. By calculating all relevant inhomogeneous spin and charge susceptibilities in real space within the random phase approximation (RPA), we obtain the effective pairing interaction and study its spatial dependence near both local potential and hopping impurities. A remarkably large enhancement of the pairing interaction may be obtained near the impurity site. We discuss the relevance of our result to inhomogeneities observed by scanning tunneling spectroscopy on the surface of cuprate superconductors.

cond-mat.supr-con↗

arXiv2012

Effective doping and suppression of Fermi surface reconstruction via Fe vacancy disorder in KxFe2-ySe2

We investigate the effect of disordered vacancies on the normal-state electronic structure of the newly discovered alkali-intercalated iron selenide superconductors. To this end we use a recently developed Wannier function based method to calculate from first principles the configuration-averaged spectral function of K0.8Fe1.6Se2 with disordered Fe and K vacancies. We find that the disorder can suppress the expected Fermi surface reconstruction without completely destroying the Fermi surface. More interestingly, the disorder effect raises the chemical potential significantly, giving enlarged electron pockets almost identical to highly doped KFe2Se2, without adding carriers to the system.

cond-mat.dis-nn↗

arXiv2011

Disorder induced transition between s_+- and s_++ states in two-band superconductors

We have reexamined the problem of disorder in two-band superconductors, and shown within the framework of the T-matrix approximation, that the suppression of T_c can be described by a single parameter depending on the intraband and interband impurity scattering rates. T_c is shown to be more robust against nonmagnetic impurities than would be predicted in the trivial extension of Abrikosov-Gor'kov theory. We find a disorder-induced transition from the s_{\pm} state to a gapless and then to a fully gapped s_{++} state, controlled by a single parameter -- the sign of the average coupling constant <λ> . We argue that this transition has strong implications for experiments.

cond-mat.supr-con↗

arXiv2011

Correlation and disorder-enhanced nematic spin response in superconductors with weakly broken rotational symmetry

Recent experimental and theoretical studies have highlighted the possible role of a electronic nematic liquid in underdoped cuprate superconductors. We calculate, within a model of d-wave superconductor with Hubbard correlations, the spin susceptibility in the case of a small explicitly broken rotational symmetry of the underlying lattice. We then exhibit how the induced spin response asymmetry is strongly enhanced by correlations as one approaches the instability to stripe order. In the disorder-induced stripe phase, impurities become spin nematogens with a C_2 symmetric impurity resonance state, and the disorder-averaged spin susceptibility remains only C_2 symmetric at low energies, similar to recent data from neutron scattering experiments on underdoped YBCO.

cond-mat.supr-con↗