Calculations of Spin Fluctuation Spectral Functions ${\alpha }^{2}F$ in High-Temperature Superconducting Cuprates

Abstract

Spin fluctuations have been proposed as a key mechanism for mediating superconductivity, particularly in high-temperature superconducting cuprates, where conventional electron-phonon interactions alone cannot account for the observed critical temperatures. Traditionally, their role has been analyzed through tight-binding based model Hamiltonians. In this work we present a method that combines density functional theory with a momentum- and frequency-dependent pairing interaction derived from the Fluctuation Exchange (FLEX) type Random Phase Approximation (FLEX-RPA) to compute Eliashberg spectral functions ${\alpha }^{2}F(\omega )$ which are central to spin fluctuation theory of superconductivity. We apply our numerical procedure to study a series of cuprates where our extracted material specific ${\alpha }^{2}F(\omega )$ are found to exhibit remarkable similarities characterized by a sharp peak in the vicinity of 40-60 meV and their rapid decay at higher frequencies. Our exact diagonalization of a linearized BCS gap equation extracts superconducting energy gap functions for realistic Fermi surfaces of the cuprates and predicts their symmetry to be $d_{x^2-y^2}$ in all studied systems. Via a variation of on-site Coulomb repulsion $U$ for the copper $d$-electrons we show that that the range of the experimental values of $T_c$ can be reproduced in this approach but is extremely sensitive to the proximity of the spin density wave instability. These data highlight challenges in building first-principle theories of high temperature superconductivity but offer new insights beyond previous treatments, such as the confirmation of the usability of approximate BCS-like $T_c$ equations, together with the evaluations of the material specific coupling constant $\lambda$ without reliance on tight-binding approximations of their electronic structures.

arXiv comment15 pages, 4 figures, 1 table

References in corpus (61)

• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• The GW method
• Evidence for ubiquitous strong electron-phonon coupling in high-temperature superconductors
• Quantum oscillations and the Fermi surface in an underdoped high-Tc superconductor
• Band-structure trend in hole-doped cuprates and correlation with Tcmax
• Linear-response theory and lattice dynamics: a muffin-tin orbital approach
• Ferromagnetic spin fluctuation induced superconductivity in Sr_2RuO_4
• Ab-initio theory of superconductivity - II: Applications to elemental metals
• Doping dependent evolution of the electronic structure of La2-xSrxCuO4 in the superconducting and metallic phases
• Evidence for an energy scale for quasiparticle dispersion in Bi_2Sr_2CaCu_2O_8
• Direct evidence for a competition between the pseudogap and high temperature superconductivity in the cuprates
• Turning a nickelate Fermi surface into a cuprate-like one through heterostructuring
• Theory of Superconductivity in Strongly Correlated Electron Systems
• Progress in Neutron Scattering Studies of Spin Excitations in High-Tc Cuprates
• Spin fluctuations and superconductivity in a 3D tight-binding model for BaFe2As2
• Quasiparticle mass enhancement approaching optimal doping in a high-Tc superconductor
• Thermodynamic signatures of quantum criticality in cuprates
• Strong-coupling theory of superconductivity in a degenerate Hubbard model
• Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor
• The ground state of heavily-overdoped non-superconducting La${}_{2-x}$Sr${}_x$CuO${}_4$
• de Haas-van Alphen oscillations in the underdoped cuprate YBa${}_2$Cu${}_3$O${}_{6.5}$
• Universal quantum oscillations in the underdoped cuprate superconductors
• Structural phase transition, $s_{\pm }$-wave pairing and magnetic stripe order in the bilayered nickelate superconductor La${}_3$Ni${}_2$O${}_7$ under pressure
• High-energy kink in high-temperature superconductors
• Spin Fluctuations, Interband Coupling, and Unconventional Pairing in Iron-based Superconductors
• Pseudogap and Superconductivity in Iron-Based Layered Superconductor studied by Fluctuation-Exchange Approximation
• Anisotropy, Itineracy, and Magnetic Frustration in High-Tc Iron Pnictides
• Nodeless pairing in superconducting copper-oxide monolayer films on Bi2Sr2CaCu2O8+δ
• Orbital Fluctuation-Induced Triplet Superconductivity : Mechanism of Superconductivity in ${\mathrm{Sr}}_2{\mathrm{RuO}}_4$
• Origin of the Weak Pseudo-gap Behaviors in Na_{0.35}CoO_2: Absence of Small Hole Pockets
• Superconductivity and Magnetism in Non-centrosymmetric System: Application to CePt_3Si
• "Kinks", Nodal Bilayer Splitting and Interband Scattering in YBCO
• Fermiology and electronic homogeneity of the superconducting overdoped cuprate Tl-2201 revealed by quantum oscillations
• Competing d${}_{xy}$ and s${}_{\pm }$ Pairing Symmetries in Superconducting La${}_3$Ni${}_2$O${}_7$ emerge from LDA+FLEX Calculations
• Tl2Ba2CuO6+d Brings Spectroscopic Probes Deep Into the Overdoped Regime of the High-Tc Cuprates
• Electronic Specific Heat of La_{2-x}Sr_{x}CuO_{4}: Pseudogap Formation and Reduction of the Superconducting Condensation Energy
• d- and p-wave superconductivity mediated by spin fluctuations in two- and three-dimensional single-band repulsive Hubbard model
• FLEX+DMFT approach to the $d$-wave superconducting phase diagram of the two-dimensional Hubbard model
• High T_c superconductivity due to coexisting wide and narrow bands: A fluctuation exchange study on the Hubbard ladder as a test case
• Single reconstructed Fermi surface pocket in an underdoped single layer cuprate superconductor
• Angle-resolved photoemission spectroscopy study of HgBa${}_2$CuO${}_{4+\delta }$
• Monotonic d-wave Superconducting Gap in Optimally-Doped Bi${}_2$Sr${}_{1.6}$La${}_{0.4}$CuO${}_6$ Superconductor by Laser-Based Angle-Resolved Photoemission Spectroscopy
• Unconventional superconducting pairing by conventional phonons
• Systematic analysis of a spin-susceptibility representation of the pairing interaction in the 2D Hubbard model
• Unusual interplay between superconductivity and field-induced charge order in YBa2Cu3Oy
• Calculated Magnetic Exchange Interactions in High-Temeprature Superconductors
• Spectral analysis for the iron-based superconductors: Anisotropic spin fluctuations and fully gapped s^{\pm}-wave superconductivity
• $Ab$ $initio$ low-energy effective Hamiltonians for high-temperature superconducting cuprates Bi${}_2$Sr${}_2$CuO${}_6$, Bi${}_2$Sr${}_2$CaCu${}_2$O${}_8$, HgBa${}_2$CuO${}_4$ and CaCuO${}_2$
• High pressure synthesis of a new superconductor Sr2CuO2+xCl2-y induced by apical oxygen doping
• Disappearance of Superconductivity Due to Vanishing Coupling in the Overdoped Bi${}_2$Sr${}_2$CaCu${}_2$O${}_{8+\delta }$
• Pairing correlations in the cuprates: a numerical study of the three-band Hubbard model
• Observation of cyclotron resonance and measurement of the hole mass in optimally-doped La${}_{2-x}$Sr${}_x$CuO${}_4$
• Extent of Fermi-surface reconstruction in the high-temperature superconductor HgBa${}_2$CuO${}_{4+\delta }$
• Designing nickelate superconductors with $d^8$ configuration exploiting mixed-anion strategy
• Local Self-Energies for V and Pd Emergent from a Non-Local LDA+FLEX Implementation
• Electron-like Fermi surface and in-plane anisotropy due to chain states in YBa${}_2$Cu${}_3$O${}_{7-\delta }$ superconductors
• Material-dependent screening of Coulomb interaction in single-layer cuprates
• High density of states in the pseudogap phase of the cuprate superconductor HgBa${}_2$CuO${}_{4+\delta }$
• Life of the nodal quasiparticles in Bi-2212 as seen by ARPES
• Calculated Spin Fluctuational Pairing Interaction in HgBa2CuO4 using LDA+FLEX Method