Motivated by recent experimental studies on superconductivity found in nickelate-based materials, we study the temperature dependence of the spin correlation and the superconducting pairing interaction within an effective two-band Hubbard model by the quantum Monte Carlo method. Based on parameters extracted from first-principles calculations, our intensive numerical results reveal that the pairing with a $d_{xy}$-wave symmetry firmly dominates over other pairings at low temperature, which is mainly determined by the Ni 3$d$ orbital. It is also found that the effective pairing interaction is enhanced as the on-site interaction increases, demonstrating that the superconductivity is driven by strong electron-electron correlation. Even though the $(π,π)$ antiferromagnetic correlation could be enhanced by electronic interaction, there is no evidence for long-range antiferromagnetic order exhibited in nickelate-based superconductors. Moreover, our results offer possible evidence that the pure electron correlation may not account for the charge density wave state observed in nickelates.
Infinite-layer nickelates present a new family of potential unconventional superconductors. A key open question is the superconducting pairing symmetry. We present low-temperature measurements of the London penetration depth in optimally doped La_{0.8}Sr_{0.2}NiO_{2}, Pr_{0.8}Sr_{0.2}NiO_{2}, and Nd_{0.8}Sr_{0.2}NiO_{2}. For La and Pr-nickelates, the superfluid density shows a quadratic temperature dependence, indicating nodal superconductivity in the presence of disorder. Nd-nickelate exhibits complex low-temperature behavior, which we attribute to magnetic impurities. These results are consi…
We provide a set of computational experiments based on \textit{ab initio} calculations to elucidate whether a cuprate-like antiferromagnetic insulating state can be present in the phase diagram of the low-valence layered nickelate family (R$_{n+1}$Ni$_n$O$_{2n+2}$, R= rare-earth, $n=1-\infty$) in proximity to half-filling. It is well established that at $d^9$ filling the infinite-layer ($n=\infty$) nickelate is metallic, in contrast to cuprates wherein an antiferromagnetic insulator is expected. We show that for the Ruddlesden-Popper (RP) reduced phases of the series (finite $n$) an antiferrom…
Evidence for Clean d-wave Superconductivity in Samarium Nickelates
The State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry & Chemical Engineering, Xiamen University（厦门大学化学化工学院固体表面物理化学国家重点实验室）；School of Physics, University of Electronic Science and Technology of China（电子科技大学物理学院）；State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China（电子科技大学电子薄膜与集成器件国家重点实验室）；State Key Laboratory of Cryogenic Science and Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences（中国科学院理化技术研究所低温科学与技术国家重点实验室）
We report theoretical predictions on the pairing symmetry of the newly discovered superconducting nickelate Nd$_{1-x}$Sr$_{x}$NiO$_{2}$ based on the renormalized mean-field theory for a generalized model Hamiltonian proposed in [Phys. Rev. B \textbf{101}, 020501(R)]. For practical values of the key parameters, we find a transition between a gapped ($d+is$)-wave pairing state in the small doping region to a gapless $d$-wave pairing state in the large doping region, accompanied by an abrupt Fermi surface change at the critical doping. Our overall phase diagram also shows the possibility of a ($d…
Ionic-Bond-Driven Atom-Bridged Room-Temperature Cooper Pairing in Cuprates and Nickelates: a Theoretical Framework Supported by 32 Experimental Evidences
Effective models are constructed for a newly discovered superconductor (Nd,Sr)NiO2, which has been considered as a possible nickelate analogue of the cuprates owing to the d9 electron configuration. Estimation of the effective interaction, which turns out to require a multiorbital model that takes account of all the orbitals involved on the Fermi surface, shows that the effective interactions are significantly larger than in the cuprates. A fluctuation exchange study for the model indicates that dx2-y2-wave superconductivity is likely to occur as in the cuprates, where the transition temperatu…
Structural phase transition, $s_{\pm}$-wave pairing and magnetic stripe order in the bilayered nickelate superconductor La$_3$Ni$_2$O$_7$ under pressure
Motivated by the recent observation of superconductivity in strontium doped NdNiO$_2$, we study the superconducting instabilities in this system from various vantage points. Starting with first-principles calculations, we construct two distinct tight-binding models, a simpler single-orbital as well as a three-orbital model, both of which capture the key low energy degrees of freedom to varying degree of accuracy. We study superconductivity in both models using the random phase approximation (RPA). We then analyze the problem at stronger coupling, and study the dominant pairing instability in t…
Probing Sign-Changing Order Parameters via Impurity States in unconventional superconductors: Implications for La$_3$Ni$_2$O$_7$ Superconductors with interlayer pairing
Magnetic Correlations and Pairing Tendencies of the Hybrid Stacking Nickelate Superlattice La$_7$Ni$_5$O$_{17}$ (La$_3$Ni$_2$O$_7$/La$_4$Ni$_3$O$_{10}$) under Pressure
In the present study, we explore superconductivity in NdNiO$_2$ and LaNiO$_2$ employing a first-principles derived low-energy model Hamiltonian, consisting of two orbitals: Ni $x^{2}$-$y^{2}$, and an {\it axial} orbital. The {\it axial} orbital is constructed out of Nd/La $d$, Ni 3$z^{2}$-$r^{2}$ and Ni $s$ characters. Calculation of the superconducting pairing symmetry and pairing eigenvalue of the spin-fluctuation mediated pairing interaction underlines the crucial role of inter-orbital Hubbard interaction in superconductivity, which turns out to be orbital-selective. The axial orbital bring…
Layer-Asymmetry-Induced Topological Superconductivity in High-T$_c$ Bilayer Nickelates
Hong Kong University of Science and Technology（香港科技大学）；RIKEN Interdisciplinary Theoretical and Mathematical Sciences (iTHEMS)（理化学研究所交叉理论与数学科学中心）；Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences（中国科学院理论物理研究所理论物理重点实验室）；School of Physics, Beijing Institute of Technology（北京理工大学物理学院）
We propose that the superconductivity recently observed in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ with critical temperature in the range $9$ K to $15$ K results from the same charge carriers and the same mechanism that we have proposed give rise to superconductivity in both hole-doped and electron-doped cuprates: pairing of hole carriers in oxygen $pπ$ orbitals, driven by a correlated hopping term in the effective Hamiltonian that lowers the kinetic energy, as described by the theory of hole superconductivity. We predict a large increase in $T_c$ with compressive epitaxial strain.
Strongly correlated materials often respond sensitively to the external perturbations. In the recently discovered superconducting infinite-layer nickelates, the superconducting transition temperature can be dramatically enhanced via only ~1% compressive strain-tuning enabled by substrate design. However, the root of such enhancement remains elusive. While the superconducting pairing mechanism is still not settled, magnetic Cooper pairing - similar to the cuprates has been proposed. Using resonant inelastic x-ray scattering, we investigate the magnetic excitations in infinite-layer PrNiO2 thin …
The interplay between dimensionality and various phases of matter is a central inquiry in condensed matter physics. New phases are often discovered through spontaneously broken symmetry. Understanding the dimensionality of superconductivity in the high-temperature cuprate analogue $-$ layered nickelates and revealing a new symmetry-breaking state are the keys to deciphering the underlying pairing mechanism. Here, we demonstrate the highly-tunable dimensionality and a broken rotational symmetry state in the superconductivity of square-planar layered nickelates. The superconducting state, probed…
After the reward of more than two decades of pursuit on the high-Tc cuprate analog with the hope to obtain a better understanding of the mechanism of high-Tc superconductivity, the discovery of superconductivity in the infinite-layer nickelate brings more mystery to the picture than expected. Tops in the list of questions are perhaps (1) absence of superconductivity in the bulk nickelate and limited thickness of the infinite-layer phase in thin film, (2) absence of superconductivity in the La-nickelate despite it being the earliest studied rare-earth nickelate, and the role of 4f orbital in th…
Thermodynamic phase transition, pairing symmetry and Fermi surface topology in Ruddlesden-Popper nickelate films
University of Science and Technology of China（中国科学技术大学）；Hefei National Laboratory, University of Science and Technology of China（合肥国家实验室，中国科学技术大学）；Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China（中国科学院微观结构国家重点实验室，中国科学技术大学）
We propose a phase diagram of quasi-low-dimensional type II superconductors in parallel magnetic fields, when antiferromagnetic fluctuations contribute to the pairing interactions. We point out that pairing interactions mediated by antiferromagnetic fluctuations necessarily include both singlet channels and triplet channels as attractive interactions. Usually, a singlet pairing is favored at zero field, but a triplet pairing occurs at high fields where the singlet pairing is suppressed by the Pauli paramagnetic pair-breaking effect. As a result, the critical field increases divergently at low …
Despite the structural resemblance of certain cuprate and nickelate parent compounds there is a striking spread of $T_c$ among such transition metal oxide superconductors. We adopt a minimal two-orbital $e_g$ model which covers cuprates and nickelate heterostructures in different parametric limits, and analyse its superconducting instabilities. The joint consideration of interactions, doping, Fermiology, and in particular the $e_g$ orbital splitting allows us to explain the strongly differing pairing propensities in cuprate and nickelate superconductors.
Fermi liquid and isotropic superconductivity of Hund scenario for bilayer nickelates
Hangzhou Normal University（杭州师范大学）；Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；University of Chinese Academy of Sciences（中国科学院大学）；Songshan Lake Materials Laboratory（松山湖材料实验室）
Pairing symmetry in the superconducting state coexisting with antiferromagnetic order is studied based on a microscopic theory. We calculate the linearized Eliashberg's equation within the random phase approximation in the Hubbard model with a staggered field. We find that odd-frequency spin-triplet (equal-spin) s-wave pairing state can be realized. This result contradicts a naive expectation that antiferromagnetic order induces antiferromagnetic spin fluctuation and favors spin-singlet d-wave pairing as in the standard strongly correlated systems.
We present the investigation results of the in-plane \{rho}(T) resistivity tensor at the temperature range 0.4-40 K in magnetic fields up to 90kOe (H||c, J||ab) for electron-doped Nd{2-x}Ce{x}CuO{4+δ} with different degree of disorder near antiferromagnetic - superconducting phase boundary. We have experimentally found that for optimally doped compound both the upper critical field slope and the critical temperature decrease with increasing of the disorder parameter (d-wave pairing) while in the case of the underdoped system the critical temperature remains constant and (dHc2/dT)|Tc increases …
Motivated by the recent realization of the infinite-layer nickelate superconductivity (SC), we quantitatively investigate a two-orbital $d$-$s$ model by dynamic cluster quantum Monte Carlo calculations. Focusing on the impact of inter-orbital hybridization on the superconducting properties, our simulations indicate that the $d$-$s$ hybridization strength has a decisive role in the suppression of the $d$-wave pairing in the doping regime relevant to infinite-layer nickelates. Although we confirm on the single-orbital description at weak hybridization, at relatively large hybridization, there ex…
It is shown that interlayer spin-singlet Cooper pairing is induced by magnetic interactions in a metallic antiferromagnet of stacked conductive layers in which each layer is ferromagnetically polarized and they order antiferromagnetically in stacking direction. As a result, the antiferromagnetic long-range order and superconductivity coexist at low temperatures. It is shown that T_AF > T_c except for in a very limited parameter region unless T_AF = 0, where T_AF and T_c denote the antiferromagnetic and superconducting transition temperatures, respectively. It is found that the exchange field c…
