Pnictogen height as a possible switch between high-T_c nodeless and low-T_c nodal pairings in the iron based superconductors

Abstract

We study the effect of the lattice structure on the spin-fluctuation mediated superconductivity in the iron pnictides adopting the five-band models of several virtual lattice structures of LaFeAsO as well as actual materials such as NdFeAsO and LaFePO obtained from the maximally-localized Wannier orbitals. Random phase approximation is applied to the models to solve the Eliashberg equation. This reveals that the gap function and the strength of the superconducting instability are determined by the cooperation or competition among multiple spin fluctuation modes arising from several nestings among disconnected pieces of the Fermi surface, which is affected by the lattice structure. Specifically, the appearance of the Fermi surface $\gamma$ around $(\pi ,\pi )$ in the unfolded Brillouin zone is sensitive to the pnictogen height $h_{\mathrm{Pn}}$ measured from the Fe plane, where $h_{\mathrm{Pn}}$ is shown to act as a switch between high-$T_c$ nodeless and low-$T_c$ nodal pairings. We also find that reduction of the lattice constants generally suppresses superconductivity. We can then combine these to obtain a generic superconducting phase diagram against the pnictogen height and lattice constant. This suggests that NdFeAsO is expected to exhibit a fully-gapped, sign-reversing s-wave superconductivity with a higher $T_c$ than in LaFeAsO, while a nodal pairing with a low $T_c$ is expected for LaFePO, which is consistent with experiments.

A full paper to Phys. Rev. Lett. 101, 087004 (2008) focusing on material-dependencs, which also contains details on Phys. Rev. Lett. 102, 109902(Erratum) (2009). 18 pages, 19 figures. Minor changes made and added/updated references in ver.2

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• Evidence for a full energy gap for nickel-pnictide LaNiAsO_{1-x}F_x superconductors by ^{75}As nuclear quadrupole resonance
• Mott-insulator to metal transition in filling-controlled SmMnAsO_{1-x}
• Fermi surface and effective masses in photoemission response of the (Ba${}_{1-x}$K${}_x$)Fe${}_2$As${}_2$ superconductor
• Functional renormalization group study of an eight-band model for the iron arsenides
• Structural Features of Layered Iron Pnictide Oxides (Fe2As2)(Sr4M2O6)
• Effects of isoelectronic Ru substitution at the Fe site on the energy gaps of optimally F-doped SmFeAsO
• Interplay of the electronic and lattice degrees of freedom in A_{1-x}Fe_{2-y}Se_{2} superconductors under pressure
• Robust spin fluctuations and $s\pm$ pairing in the heavily electron doped iron-based superconductors
• Improper s-wave symmetry for the electronic pairing in iron-based superconductors by first-principles calculation
• Emergent Phases of Nodeless and Nodal Superconductivity Separated by Antiferromagnetic Order in Iron-based Superconductor (Ca4Al2O6)Fe2(As1-xPx)2: 75As- and 31P-NMR Studies
• Iron-based superconductors: tales from the nuclei
• Doping effect of Cu and Ni impurities on the Fe-based superconductor Ba0.6K0.4Fe2As2
• Coherence Effect of Sign-Reversing s(+-)-wave Cooper Pair State in Heavily Overdoped LaFeAsO-based Superconductor: 75As-Nuclear Quadrupole Resonance
• Origin of the non-monotonic variance of Tc in the 1111 iron based superconductors with isovalent doping
• Temperature dependent local structure of NdFeAsO1-xFx system using arsenic K-edge extended x-ray absorption fine structure
• Inter-layer Superconducting Pairing Induced c-axis Nodal Lines in Iron-based Superconductors
• Magnetic order tuned by Cu substitution in Fe1.1-zCuzTe
• Multiple Antiferromagnetic Spin Fluctuations and Novel Evolution of Tc in Iron-based superconductors LaFe(As1-xPx)(O1-yFy) revealed by 31P-NMR Studies
• Coupling of the A_{1g} As-phonon to magnetism in iron pnictides
• Structural Analysis on Iron-Based Superconductor Pr1111 System with Oxygen Deficiency and Flourine Substitution
• Anion height as a controlling parameter for the superconductivity in iron pnictides and cuprates
• Hidden phase in parent Fe-pnictide superconductors
• Effect of K Doping on Phonons in Ba1-xKxFe2As2
• Spin Hall effect in iron-based superconductors: A Dirac-point effect
• Probing the pairing symmetry in the over-doped Fe-based superconductor Ba_0.35Rb_0.65Fe_2As_2 as a function of hydrostatic pressure
• Antiferromagnetism in Iron-Based Superconductors: Selection of Magnetic Order and Quasiparticle Interference
• Effect of heavy-ion irradiation on London penetration depth in over-doped Ba(Fe,Co)2As2
• Three superconducting phases with different categories of pairing in hole- and electron-doped LaFeAs${}_{1-x}$P${}_x$O
• Elementary Excitations due to Orbital Degrees of Freedom in Iron Based Superconductors
• Pressure-induced superconductivity in EuFe2As2 without a quantum critical point: magnetotransport and upper critical field measurements under high pressure
• A density functional theory study of FeAs comparing LDA+U, GGA+U and hybrid functionals
• Vortex lattice structure in BaFe2(As0.67P0.33)2 by the small-angle neutron scattering technique
• Probing the direct factor for superconductivity in FeSe-Based Superconductors by Raman Scattering
• Electronic structure in one-Fe Brillouin zone of iron-pnictide superconductor CsFe${}_2$As${}_2$
• Orbital-Selective Superconductivity and the Effect of Lattice Distortion in Iron-Based Superconductors
• Effect of the isoelectronic substitution of Sb for As on the magnetic and structural properties of LaFe(As1-xSbx)O
• Electronic Phase Diagram of SrFe${}_2$(As${}_{1-x}$P${}_x$)${}_2$: Effect of Structural Dimensionality
• Point-contact spectroscopy in Co-doped CaFe2As2: nodal superconductivity and topological Fermi surface transition
• Least momentum space frustration as a condition for "high $T_c$ sweet spot" in the iron-based superconductors
• Effective three-particle interactions in low-energy models for multiband systems
• Direct observation of the influence of the FeAs4 tetrahedron on superconductivity and antiferromagnetic correlations in Sr2VO3FeAs
• Importance of dxy orbital and electron correlation in iron-based superconductors revealed by phase diagram for 1111-system
• Tight-binding Hamiltonian for LaOFeAs
• Hidden robust presence of a hole Fermi surface in a heavily electron doped iron based superconductor LaFe${}_2$As${}_2$
• L4Fe2As2Te1-xO4-yFy (L = Pr, Sm, Gd): a layered oxypnictide superconductor with Tc up to 45 K
• Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first principles
• Interplay of electron correlation and covalency in FeTe(0.6)Se(0.4)
• High-Tc Nodeless s_\pm-wave Superconductivity in (Y,La)FeAsO_{1-y} with Tc=50 K: 75As-NMR Study
• Strongly three-dimensional electronic structure and Fermi Surfaces of SrFe${}_2$(As${}_{0.65}$P${}_{0.35}$)${}_2$: Comparison with BaFe${}_2$(As${}_{1-x}$P${}_x$)${}_2$
• A Microscopic Description of Displacive Coherent Phonons
• Synthesis of ErFeAsO-based superconductors by hydrogen doping method
• The Superconducting Transition Temperatures of Fe1+xSe1--y, Fe1+xSe1--yTey and (K/Rb/Cs)zFe2--xSe2
• NMR Investigation of the iron-based superconductors Ca4(Mg,Ti)3Fe2As2O8-y and Ca5(Sc,Ti)4Fe2As2O11-y
• Fully gapped superconductivity in Ni-pnictide superconductors BaNi2As2 and SrNi2P2
• Simple Real-Space Picture of Nodeless and Nodal s-wave Gap Functions in Iron Pnictide Superconductors
• Evidence of nodal superconductivity in LaFeSiH
• Self-energy driven resonance-like inelastic neutron spectrum in $s_{++}$-wave state in Fe-based superconductors
• Observation of Multiple Superconducting Gaps in the Infrared Reflectivity Spectra of Ba(Fe0.9Co0.1)2As2
• Observation of the Non-linear Meissner Effect
• Gap Anisotropy in Iron-Based Superconductors: A Point-Contact Andreev Reflection Study of BaFe${}_{2-x}$Ni${}_x$As${}_2$ Single Crystals
• Doping dependence of antiferromagnetism in models of the pnictides
• Emergence of superconductivity in single-crystalline LaFeAsO under simultaneous Sm and P substitution
• Superconducting transition temperatures in the electronic and magnetic phase diagrams of Sr2VFeAsO3-delta, a superconductor
• Point contact spectroscopy in Fe-based superconductors: recent advancements and future challenges
• Possible nodal superconducting gap in Fe${}_{1+y}$(Te${}_{1-x}$Se${}_x$) single crystals from ultra-low temperature penetration depth measurements
• Field Dependent Superfluid Density in the Optimally Doped SmFeAsO_(1-x)F_y Superconductor
• Constraints on the total coupling strength to bosons in iron based superconductors
• Anomalous magneto-elastic coupling in Au-doped BaFe2As2
• Orbitally resolved lifetimes in Ba(Fe0.92Co0.08)2As2 measured by ARPES
• Local structural studies of Ba${}_{1-x}$K${}_x$Fe${}_2$As${}_2$ using atomic pair distribution function analysis
• Charge doping to flat AgF2 monolayers in a chemical capacitor setup
• Static and Dynamical Susceptibility of LaO1-xFxFeAs
• Opening of the superconducting gap in the hole pockets of Ba(Fe(1-x)Co(x))2As2 as seen via Angle-Resolved PhotoElectron Spectroscopy
• Exotic phase transition and superconductivity in layered titanium-oxypnictides implied by a computational phonon analysis
• Evidence for Nodal superconductivity in Sr${}_2$ScFePO${}_3$
• Nodeless two-gap superconductivity in stoichiometric iron pnictide LiFeAs
• Superconducting gap evolution in overdoped BaFe${}_2$(As${}_{1-x}$P${}_x$)${}_2$ single crystals through nanocalorimetry
• The effect of disorder on electronic Raman scattering in the superconducting state of iron pnictides
• Theoretical study on the correlation between the spin fluctuation and $T_c$ in the isovalent-doped 1111 iron-based superconductors
• Itinerant scenario for Fe-pnictides: comparison with quantum Monte Carlo
• Possible Way to Make MgFeGe a New Fe-based Superconductor
• High-$T_c$ Iron-phosphide Superconductivity Enhanced by Reemergent Antiferromagnetic Spin Fluctuations in (Sr${}_4$Sc${}_2$O${}_6$)Fe${}_2$(As${}_{1-x}$P${}_x$)${}_2$ probed by NMR
• Nodal versus nodeless superconductivity in iso-electronic LiFeP and LiFeAs
• Resurgence of superconductivity and the role of $d_{xy}$ hole band in FeSe${}_{1-x}$Te${}_x$
• Magneto-elastic coupling in Fe-based superconductors
• A silver(II) route to unconventional superconductivity
• Role of Fermi surface anisotropy in the study of gap anisotropy using magnetic-field-angle dependence of thermal oscillations in AyFe2-xSe2 superconductors
• Fermi surface topology and impurity-induced resonance state in BiS${}_2$-based superconductors
• Nodal-to-nodeless superconducting order parameter in LaFeAs${}_{1-x}$P${}_x$O synthesized under high pressure
• Q-scan-analysis of the neutron scattering in iron-based superconductors
• The order-parameter symmetry and Fermi surface topology of 122 Fe-based superconductors: a point-contact Andreev-reflection study
• Data analysis of $ab$ $initio$ effective Hamiltonians in iron-based superconductors $\unicode{x2014}$ Construction of predictors for superconducting critical temperature
• Repulsive interaction helps superconductivity in fullerides
• Accurate determination of the Fermi surface of tetragonal FeS via quantum oscillation measurements and quasiparticle self-consistent \textit{GW} calculations
• Understanding the re-entrant superconducting phase diagram of an iron-pnictide Ca${}_4$Al${}_2$O${}_6$Fe${}_2$(As${}_{1-x}$P${}_x$)${}_2$
• $\mathrm{L}{\mathrm{i}}_{\mathrm{x}}({\mathrm{C}}_5{\mathrm{H}}_5\mathrm{N}{)}_{\mathrm{y}}\mathrm{F}{\mathrm{e}}_{2-\mathrm{z}}\mathrm{S}{\mathrm{e}}_2$: a defect resilient expanded-lattice high-temperature superconductor
• Exploring multichannel superconductivity in ThFeAsN
• First-principles Electronic Structure of Superconductor Ca${}_4$Al${}_2$O${}_6$Fe${}_2$P${}_2$: Comparison with LaFePO and Ca${}_4$Al${}_2$O${}_6$Fe${}_2$As${}_2$
• Resistivity in Co-doped Ba-122: comparison of thin films and single crystals
• First-principle study of antimony doping effects on the iron-based superconductor CaFe(Sb${}_x$As${}_{1-x}$)${}_2$
• Doping evolution of the gap structure and spin-fluctuation pairing in $Ba(F{e}_{1-x}C{o}_x{)}_{2}A{s}_2$ superconductors
• High-energy spin fluctuation in low-$T_{\mathrm{c}}$ iron-based superconductor LaFePO${}_{0.9}$
• Possible superconductivity induced by a large spin-orbit coupling in carrier doped iridium oxide insulators: A weak coupling approach
• Weak Spin Fluctuation with Finite Wave Vector and Superconducting Gap Symmetry in KxFe2-ySe2: 77Se Nuclear Magnetic Resonance
• Observation of two distinct superconducting domes under pressure in tetragonal FeS
• Effects of $c/a$ Anisotropy and Local Crystal Structure on Superconductivity in $A\mathrm{F}{\mathrm{e}}_2({\mathrm{As}}_{1-x}{\mathrm{P}}_x{)}_2$ ($A$=Ba${}_{1-y}$Sr${}_y$, Sr${}_{1-y}$Ca${}_y$ and Eu)
• Andreev reflection spectroscopy of the new Fe-based superconductor EuAsFeO0.85F0.15: evidence for the strong order parameter anisotropy
• Anomalous Superconducting-Gap Structure of Slightly Overdoped Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Deviating band symmetries and many-body interactions in a model hole doped iron pnictide superconductor
• NMR Characterization of Sulphur Substitution Effects in the K(x)Fe(2-y)Se(2-z)S(z) high Tc Superconductor
• c-axis pressure induced antiferromagnetic order in optimally P-doped BaFe2(As0.70P0.30)2 superconductor
• Study of Ni and Zn doped CeOFeAs: Effect on the structural transition and specific heat capacity
• Transient gap generation in BaFe${}_2$As${}_2$ driven by coherent lattice vibrations
• P-T phase diagram of iron arsenide superconductor NdFeAsO0.88F0.12
• An investigation of the interrelationship between pressure and correlation in LaFeAsO under pressure
• Effect of pairing fluctuations on the spin resonance in Fe-based superconductors
• Electronic properties of new low-temperature superconductors: 3.3K (Ni2P2)(Sr4Sc2O6) and 2.7K (Ni2As2)(Sr4Sc2O6) from first principles
• Modulation of pairing symmetry with bond disorder in unconventional superconductors
• Observation of a van Hove singularity and implication for strong coupling induced Cooper pairing in KFe2As2
• Effects of single- and multi-substituted Zn ions in doped-122 type iron-based superconductors
• Enhanced Surface Superconductivity in Ba(Fe${}_{0.95}$Co${}_{0.05}$)${}_2$As${}_2$
• Enhanced superconductivity and moderate spin fluctuations suppressed at low energies in heavily electron-doped La1111-based superconductor
• Electronically driven nematicity in FeSe Films on SrTiO3
• Nuclear Magnetic Relaxation Rate in Iron-Pnictide Superconductors
• Superconducting and critical properties of PrOFe0.9Co0.1As: effect of P doping
• Crystalline anisotropy induces a second antiferromagnetic phase in the absence of SDW in the heavily hydrogen-doped LaFeAsO${}_{1-x}$H${}_x$ $(x\sim 0.5)$
• The role of orbital nesting in the superconductivity of Iron-based Superconductors
• Calculation of the specific heat of optimally K-doped BaFe${}_2$As${}_2$
• Elasto-Raman scattering: arsenic optical phonon as a probe of nematicity in BaFe${}_2$As${}_2$
• Structural and antiferromagnetic properties of Ba(Fe${}_{1-x-y}$Co${}_x$Rh${}_y$)${}_2$As${}_2$ compounds
• First-principles-based $\pm s$-wave modelling for iron-based superconductors:Studies for specific heat and nuclear magnetic relaxation rate
• Evolution of superconducting gap anisotropy in hole-doped 122 iron pnictides
• Change of Fermi surface states related with two different $T_{\mathrm{c}}$-raising mechanisms in iron pnictide superconductor
• Nodeless superconductivity and topological nodal states in molybdenum carbide
• Nodal superconducting gap in LiFeP revealed by NMR: contrast with LiFeAs
• Interplay of stripe and double-Q magnetism with superconductivity in ${\mathrm{Ba}}_{1-x}{\mathrm{K}}_x{\mathrm{Fe}}_2{\mathrm{As}}_2$ under the influence of magnetic fields
• Strong spin resonance on BaFe2(As0.65P0.35)2 with Tc = 30 K
• Multiple superconducting gap and anisotropic spin fluctuations in iron arsenides: Comparison with nickel analog
• Lattice expansion from isotope substitution in the Iron based superconductors
• Structural, electronic properties and Fermi surface of ThCr2Si2-type charge-balanced KFe2AsSe phase as a parent system for a new group of "mixed" pnictide-chalcogenide superconductors
• Phase diagram of the isovalent phosphorous-substituted 122-type iron pnictides
• Importance of both spin and orbital fluctuations in BaFe2(As1-xPx)2 : Evidence from superconducting gap anisotropy
• Observation of the bands with $d_{xy}$ orbital character near the Fermi level in NdFeAs${}_{1-x}$P${}_x$O${}_{0.9}$F${}_{0.1}$ using angle-resolved photoemission spectroscopy
• Magnetotransport studies of optimally doped Sr(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Interrupted orbital motion in density-wave systems
• Phase separation near the charge neutrality point in FeSe${}_{1-x}$Te${}_x$ crystals with x $<$ 0.15
• Electronic Structure of ${\mathrm{Sr}}_{1-y}{\mathrm{Ca}}_y\mathrm{F}{\mathrm{e}}_2({\mathrm{As}}_{1-x}{\mathrm{P}}_x{)}_2$ ($x$ = 0.25, $y$ = 0.08) Revealed by Angle-Resolved Photoemission Spectroscopy
• Magnetism and Superconductivity in Iron-based Superconductors Decided by Condensed Particle-hole Excitations away from the Fermi Level
• Tuning Superconductivity by Isovalent Antimony Substitution in PrFeAs(O,F)
• Band-dependent superconducting gap in SrFe${}_2$(As${}_{0.65}$P${}_{0.35}$)${}_2$ studied by angle-resolved photoemission spectroscopy
• Q Dependence of Magnetic Resonance Mode on FeTe${}_{0.5}$Se${}_{0.5}$ Studied by Inelastic Neutron Scattering
• Mixed-State Effect on the Low-Energy Spin Dynamics in Optimally-doped Iron Pnictide Superconductors
• Isovalent substitution effects of arsenic on structural and electrical properties of iron-based superconductor NdFeAsO0.8F0.2
• Correlation between non-centrosymmetry and superconductivity in quasi-one-dimensional compounds A2Cr3As3 (A=K, Rb)
• Tetragonal-phase SnOFeSe: A possible parent compound of FeSe-based superconductor
• Fluorine-substitution-dependent phase diagram and superconducting properties of Sm-based oxypnictides synthesized by a high-pressure growth technique
• Three-dimensional spin susceptibility in Ba${}_{0.75}$K${}_{0.25}$Fe${}_2$As${}_2$: Out-of-plane modulation revealed by neutron spectroscopy and theoretical modeling