The large variations of T$_c$ across the cuprate families is one of the major unsolved puzzles in condensed matter physics, and is poorly understood. Although there appears to be a great deal of universality in the cuprates, several orders of magnitude changes in T$_c$ can be achieved through changes in the chemical composition and structure of the unit cell. In this paper we formulate a systematic examination of the variations in electron-phonon coupling to oxygen phonons in the cuprates, incorporating a number of effects arising from several aspects of chemical composition and doping across cuprate families. It is argued that the electron-phonon coupling is a very sensitive probe of the material-dependent variations of chemical structure, affecting the orbital character of the band crossing the Fermi level, the strength of local electric fields arising from structural-induced symmetry breaking, doping dependent changes in the underlying band structure, and ionicity of the crystal governing the ability of the material to screen $c$-axis perturbations. Using electrostatic Ewald calculations and known experimental structural data, we establish a connection between the material's maximal T$_c$ at optimal doping and the strength of coupling to $c$-axis modes. We demonstrate that materials with the largest coupling to the out-of-phase bond-buckling (``$B_{1g}$") oxygen phonon branch also have the largest T$_c$'s. In light of this observation we present model T$_c$ calculations using a two-well model where phonons work in conjunction with a dominant pairing interaction, presumably due to spin fluctuations, indicating how phonons can generate sizeable enhancements to T$_c$ despite the relatively small coupling strengths. Combined, these results can provide a natural framework for understanding the doping and material dependence of T$_c$ across the cuprates.
Experiments have shown that the families of cuprate superconductors that have the largest transition temperature at optimal doping also have the largest oxygen hole content at that doping. They have also shown that a large charge-transfer gap, a quantity accessible in the normal state, is detrimental to superconductivity. We solve the three-band Hubbard model with cellular dynamical mean-field theory and show that both of these observations follow from the model. Cuprates play a special role amongst doped charge-transfer insulators of transition metal oxides because copper has the largest cova…
1/8 Doping Anomalies and Oxygen Vacancies in Underdoped Superconducting Cuprates
讨论了几种铜氧化物超导体的热导率（$κ$）随温度和掺杂的变化。在YBa $_2$ Cu $_3$ O $_{6+x}$和Hg铜酸盐中观察到的1/8掺杂附近的正常状态$κ$和$κ$在$T_c$的斜率变化的抑制值，分别归因于局部晶格畸变和超导冷凝物的抑制。这两种现象都被认为是由局部平面孔的小区域引起的，可能是相分离的表现。结果表明，$κ$的相行为反映了条纹动力学和氧空位团簇对1/8掺杂异常条纹的钉扎。
The planar oxygen isotope effect coefficient measured as a function of hole doping in the Pr- and La-doped YBa2Cu3O7 (YBCO) and the Ni-doped La1.85Sr0.15CuO4 (LSCO) superconductors quantitatively and qualitatively follows the form originally proposed by Kresin and Wolf, which was derived for polarons perpendicular to the superconducting planes. Interestingly, the inverse oxygen isotope effect coefficient at the pseudogap temperature also follows the same formula. These findings allow the conclusion that the superconductivity in YBCO and LSCO results from polarons or rather bipolarons in the Cu…
Multiple functional ionic and electronic orders are observed in high temperature superconducting cuprates. The charge density wave order is one of them and it is spatially localized in spatial regions of the material. It is also known that the oxygen interstitials introduced by chemical intercalation self-organize in different oxygen rich regions corresponding with hole rich regions in the Cu$O_2$ layers left empty by the charge density wave order domains. However, what happens in between these two order is not known, and neither there is a method to control this spatial separation. Here we de…
A softening of phonon-dispersion has been observed experimentally in under-doped cuprate superconductors at the charge-density wave (CDW) ordering wave vector. Interestingly, the softening occurs below the superconducting (SC) transition temperature T$_{c}$, in contrast to the metallic systems, where the softening occurs usually below the CDW onset temperature T$_{\text{CDW}}$. An understanding of the `anomalous' nature of the phonon-softening and its connection to the pseudo-gap phase in under-doped cuprates remain open questions. Within a perturbative approach, we show that a complex interpl…
Cuprates are promising candidates for study in developing higher temperature superconductors. A thorough understanding of a material's phonon modes enables further investigation of its emergent properties, however, no complete reference of the phonon modes exists. Here, using density functional theory, we evaluate the phonon frequencies and atomic displacements for $\text{La}_2\text{CuO}_4$, $\text{Bi}_2\text{Sr}_2\text{CuO}_6$, and $\text{Bi}_2\text{Sr}_2\text{CaCu}_2\text{O}_8$ in their tetragonal structures. The phonon modes for all materials agree with those expected from space group symme…
Planar oxygen nuclear magnetic resonance (NMR) relaxation and shift data from all cuprate superconductors available in the literature are analyzed. They reveal a temperature independent pseudogap at the Fermi surface, which increases with decreasing doping in family specific ways, i.e., for some materials the pseudogap is substantial at optimal doping while for others it is nearly closed at optimal doping. The states above the pseudogap, or in its absence are similar for all cuprates and doping levels, and Fermi liquid-like. If the pseudogap is assumed exponential it can be as large as about 1…
We consider photoemission from cuprate high-temperature superconductors taking into account joint relaxation of strongly coupled fields: a field of correlated electrons and phonon field. Such relaxation occurs in systems with predominantly long-range electron-phonon interaction at sufficiently high carrier concentration due to coexistence of autolocalized and delocalized carriers. A simple method to calculate analytically a high-energy part of the ARPES spectrum arising is proposed. The approach suggested yields all the high-energy spectral features like broad bands of Gaussian shape and verti…
We have studied the temperature dependence of the rate of energy transfer from electronic sub-system to phononic sub-system in the case of cuprates, when the system is photo-excited by a femtosecond laser pulse. In the pseudogap state, taking the electronic dispersion {\it as linear} near the nodal points of the Brillouin zone, we show that the rate of energy transfer from electronic sub-system to phononic sub-system is proportional to $T^{5}$ at lower temperatures ($T<<T_0$), and is proportional to $T$ at higher temperatures ($T>>T_0$), here $T_0$ is the Debye temperature for cuprates. The li…
Cooper's one pair problem is investigated for a 2D lattice in the background of both passive and active Fermi sea in a weakly correlated environment. Boson exchange mechanisms involving excitons as well as phonons are invoked for pairing in the s- wave channel. The important quantities calculated are pairing energy and coherence length as functions of bosonic energy, attracted coupling constant and band filling factor. Comparison of our theoretical results with those from experiments on overdoped cuprate superconductors and other type of theoretical calculations show electronic mechanism to be…
Dzyaloshinsky-Moriya antisymmetric exchange coupling in cuprates: Oxygen effects
我们重新审视一个问题的Dzyaloshinsky-Moriya反对称交换耦合铜酸盐中的单键指定的本地自旋轨道贡献Dzyaloshinsky矢量专注于氧项。的Dzyaloshinsky矢量和各自的弱铁磁矩被证明是一个叠加的可比性，有时，竞争本地铜和O的贡献。中间态氧的$^{17}$ O Knight位移被证明是一个有效的工具，以检查在外部磁场中的Dzyaloshinsky-Moriya耦合的影响。我们预测了$strong$氧弱反铁磁性的影响，在边缘共享的CuO $_2$链由于未补偿的氧Dzyaloshinsky矢量。最后，我们重新审视对称自旋各向异性的影响，特别是那些直接引起的Dzyaloshinsky-Moriya耦合。
There is a hot debate on the anomalous behavior of superfluid density $ρ_s$ in overdoped La$_{2-x}$Sr$_x$CuO$_4$ films in recent years. The linear drop of $ρ_s$ at low temperatures implies the superconductors are clean, but the linear scaling between $ρ_s$ (in the zero temperature limit) and the transition temperature $T_c$ is a hallmark of the dirty limit in the Bardeen-Cooper-Schrieffer (BCS) framework [I. Bozovic et al., Nature 536, 309 (2016)]. This dichotomy motivated exotic theories beyond the standard BCS theory. We show, however, that such a dichotomy can be reconciled naturally by the…
In this paper we calculate ab initially the phonon dispersion relationship of the superconductor LaFeAsO and investigate a main property in the superconductor, the oxygen isotope effect. Based on this phonon dispersion relationship, we find the fact that an important reason of the oxygen isotope effect is connected with the phonon. This result agrees well with the experimental data where the power index of the oxygen isotope effect in the superconductor LaFeAsO is small.
Differentiation of electron doping and oxygen reduction in electron-doped cuprates
Institute for Solid State Physics, The University of Tokyo（东京大学固体离子体研究所）；Department of Engineering and Applied Sciences, Sophia University（上智大学理工学部）；Department of Applied Physics, Tohoku University（东北大学应用物理系）；UVSOR Synchrotron Facility, Institute for Molecular Science（分子科学研究所UVSOR同步辐射设施）
There is a growing compelling experimental evidence that a quantum complex matter scenario made of multiple electronic components, and competing quantum phases is needed to grab the key physics of high critical temperature (Tc) superconductivity in layered cuprates. While it is known that defects self-organization controls Tc, the mechanism remains an open issue. Here we focus on the theoretical prediction of the multi-band electronic structure and the formation of broken Fermi surfaces generated by the self-organization of oxygen interstitials O-i atomic wires in the spacer layers in HgBa2CuO…
In our recent work [Phys. Rev. Lett. 128, 137001 (2002)], we proposed that the apical oxygen vacancies act as anisotropic scattering impurities. Within the Born approximation, this leads to a quasi-particle scattering rate that is maximal (zero) in the antinodal (nodal) direction. This unique angular dependence provides a straightforward mechanism for some puzzling experimental results in overdoped La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) films regarding the superfluid density $ρ_s$ and optical conductivity $σ_1$. In a recent comment by H. U. Ozdemir et al. [arXiv:2206.01301], the importance of the natu…
Universal scaling laws can guide the understanding of new phenomena, and for cuprate high-temperature superconductivity such an early influential relation showed that the critical temperature of superconductivity ($T_c$) correlates with the density of the superfluid measured at low temperatures. This famous Uemura relation has been inspiring the community ever since. Here we show that the charge content of the bonding orbitals of copper and oxygen in the ubiquitous CuO$_2$ plane, accessible with nuclear magnetic resonance (NMR), is tied to the Uemura scaling. This charge distribution between c…
Distribution function of charge carriers in electron-phonon systems with spontaneously broken translational symmetry and 'vertical dispersion' in ARPES spectra of cuprates
Quantum phase transitions play an important role in shaping the phase diagram of high-temperature cuprate superconductors. These cuprates possess intertwined orders which interact strongly with superconductivity. However, the evidence for the quantum critical point associated with the charge order in the superconducting phase remains elusive. Here we show the short-range charge orders and the spectral signature of the quantum fluctuations in La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) near the optimal doping using high-resolution resonant inelastic X-ray scattering. On performing calculations through a dia…
Cu K edge X-ray absorption spectra of overdoped superconducting $YSr_2Cu_{2.75}Mo_{0.25}O_{7.54}$ and $Sr_2CuO_{3.3}$ show a remarkably strong correlation of their superconductivity with the local dynamics of their Cu-Sr and Cu-apical-O pairs. This finding that the entire alkaline earth cation-apical O "dielectric" layer has an active role in the unusual electronic properties of cuprates has not been previously considered and has far reaching implications. We develop this idea of a possible role for the apical oxygen charge dynamics via a soft mode of the Sr by applying Kuramoto's synchronizat…
Exploring d-Wave Magnetism in Cuprates from Oxygen Moments
Technical University of Munich（慕尼黑工业大学）；Xi’an Jiaotong University（西安交通大学）；University of Warsaw（华沙大学）；Goethe-Universität Frankfurt（法兰克福歌德大学）；Imperial College London（伦敦帝国理工学院）
The paper briefly surveys theoretical models for the polar Kerr effect (PKE) and time-reversal symmetry breaking in the pseudogap phase of cuprate superconductors. By elimination, the most promising candidate is the tilted loop-current model, obtained from the Simon-Varma model by tilting one triangular loop up and another one down toward the apical oxygens. The model is consistent with the PKE, spin-polarized neutron scattering, and optical anisotropy measurements. Spontaneous currents in this model flow between the in-plane and apical oxygens in such a manner that each oxygen belongs to one …
