Triplet pairing, orbital selectivity and correlations in Iron-based superconductors
University of Cincinnati（辛辛那提大学）；Max-Planck-Institut für Festkörperforschung（马克斯·普朗克固体研究所）；Rutgers University（罗格斯大学）；Royal Holloway, University of London（伦敦大学皇家霍洛威学院）
We use a slave-boson approach to study the band renormalization and pair susceptibility in the normal state of Iron-based superconductors in presence of strong Coulomb repulsion and Hund's interaction. Our results show orbital selectivity toward localization of $xy$ orbitals and its interplay with superconductivity. We also compare the recently proposed triplet resonating valence bond theory of superconductivity in Iron-based superconductors with the more conventional $s_\pm$ pairing and show that both favor a superconductivity when the $xy$ orbital is delocalized.
We perform a two-loop renormalization group (RG) analysis of a 2D effective multiband model, which is relevant for describing the low-energy properties of some iron-chalcogenide superconducting materials. Crucial ingredients in this analysis are the calculation of higher-order contributions in the RG scheme that go beyond the widely-used parquet approximation and the consequent inclusion of nontrivial self-energy effects of the model that yield an anisotropic renormalization of the quasiparticle weight in the system. The motivation of our work is the experimental discovery by Sprau et al. (201…
Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe $3d$-orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective correlations has been an active topic in the study of the iron-based systems. In this paper, we survey the recent developments on the subject. For the normal state, we emphasize the orbital-selective Mott physics that has been extensively studied, especially in the iron chalcogenides, in the case of electron filling $n \sim 6$. In addition, the interplay betwee…
We study an inhomogeneous three-orbital Hubbard model for the Cu-substituted iron pnictides using an extended real-space Green's function method combined with density functional calculations. We find that the onsite interactions of the Cu ions are the principal determinant of whether an electron dopant or a hole dopant is caused by the Cu substitution. It is found that the Cu substitution could lead to a hole doping when its onsite interactions are smaller than a critical value, as opposed to an electron doping when the interactions of Cu ions are larger than the critical value, which may expl…
We use scanning tunneling microscopy/spectroscopy (STM/S) to elucidate the Cooper pairing of the iron pnictide superconductor Ba0.6K0.4Fe2As2. By a cold-cleaving technique, we obtain atomically resolved termination surfaces with different layer identities. Remarkably, we observe that the low-energy tunneling spectrum related to superconductivity has an unprecedented dependence on the layer-identity. By cross-referencing with the angle-revolved photoemission results and the tunneling data of LiFeAs, we find that tunneling on each termination surface probes superconductivity through selecting di…
We show that electron correlations lead to a bad metallic state in chalcogenides FeSe and FeTe despite the intermediate value of the Hubbard repulsion $U$ and Hund's rule coupling $J$. The evolution of the quasi particle weight $Z$ as a function of the interaction terms reveals a clear crossover at $U \simeq$ 2.5 eV. In the weak coupling limit $Z$ decreases for all correlated $d$ orbitals as a function of $U$ and beyond the crossover coupling they become weakly dependent on $U$ while strongly depend on $J$. A marked orbital dependence of the $Z$'s emerges even if in general the orbital-selecti…
A major puzzle about the nature of the iron-based superconductivity appears in the case of the alkaline iron selenides. Compared to the iron pnictides, these systems have only electron Fermi pockets (i.e. no hole Fermi pockets) but comparable superconducting transition temperatures. The challenge lies in reconciling the two basic experimental features of their superconducting state: a node-less gap and the existence of a resonance in the spin excitation spectrum. We propose a mechanism based on reconstructing two quasi-degenerate pairing states, one in an $s$-wave $A_{1g}$ channel that is full…
Variational Monte Carlo study of a two-orbital Hubbard model for the iron pnictides
International School for Advanced Studies (SISSA) and CNR-IOM（国际高等研究院（SISSA）与意大利国家研究委员会凝聚态物理研究所（CNR-IOM））；Institute for Condensed Matter Physics and Complex Systems, DISAT, Politecnico di Torino（都灵理工大学DISAT凝聚态物理与复杂系统研究所）
A key question in high temperature iron-based superconductivity is the mechanism by which the paired electrons minimize their strong mutual Coulomb repulsion. While electronically paired superconductors generally avoid the Coulomb interaction through the formation of nodal, higher angular momentum pairs, iron based superconductors appear to form singlet s-wave (s$^{\pm}$) pairs. By taking the orbital degrees of freedom of the iron atoms into account, here we argue that the s$^{\pm}$ state in these materials possesses internal d-wave structure, in which a relative d-wave ($L=2$) motion of the p…
We examine the possibility that the superconductivity in the newly discovered FeAs materials may be caused by the Coulomb interaction between d-electrons of the iron atoms. We find that when the Hund's rule ferromagnetic interaction is strong enough, the leading pairing instability is in spin-triplet p-wave channel in the weak coupling limit. The resulting superconducting gap has nodal lines on the 3D Fermi surfaces. The k dependent hybridization of several orbitals around a Fermi pocket is the key for the appearance of the spin-triplet p-wave pairing.
Motivated by the recent low-tempearture experiments on bulk FeSe, we study the electron correlation effects in a multiorbital model for this compound in the nematic phase using the U(1) slave-spin theory. We find that a finite nematic order helps to stabilize an orbital selective Mott phase. Moreover, we propose that when the d- and s-wave bond nematic orders are combined with the ferro-orbital order, there exists a surprisingly large orbital selectivity between the xz and yz orbitals even though the associated band splitting is relatively small. Our results explain the seemingly unusual obser…
A central idea in strongly correlated systems is that doping a Mott insulator leads to a superconductor by transforming the resonating valence bonds (RVBs) into spin-singlet Cooper pairs. Here, we argue that a spin-triplet RVB (tRVB) state, driven by spatially, or orbitally anisotropic ferromagnetic interactions can provide the parent state for triplet superconductivity. We apply this idea to the iron-based superconductors, arguing that strong onsite Hund's interactions develop intra-atomic tRVBs between the t$_{2g}$ orbitals. On doping, the presence of two iron atoms per unit cell allows thes…
Motivated by the fully gapped superconductivity in iron-based superconductors with uncompensated electron pockets, we propose a spin singlet, but orbital triplet analogue of the superfluid phase of He-3B. We show that orbital triplets with a nominal d-wave symmetry at the iron sites can transform as s-wave pairs under rotations about the selenium sites. Linear combinations of such d$_{xy}$ and d$_{x^{2}-y^{2}}$ triplets form a fully gapped, topological superconductor. Raman-active excitations are predicted to develop below the superconducting transition temperature.
We study the orbital-dependent superconducting pairing in a five-orbital t-J1-J2 model for iron pnictides. Depending on the orbital selectivity of electron correlations and the orbital characters along the Fermi surface, the superconducting gap in an A_{1g} pairing state may exhibit anisotropy. This anisotropy varies with the degree of J1-J2 magnetic frustration. We have also calculated the dynamical spin susceptibility in the superconducting state. The frequency dependence of the susceptibility at the antiferromagnetic wavevector (π,0) shows a resonance, whose width is enhanced by the orbital…
We discuss the influence on spin-fluctuation pairing theory of orbital selective strong correlation effects in Fe-based superconductors, particularly Fe chalcogenide systems. We propose that a key ingredient for an improved itinerant pairing theory is orbital selectivity, i.e., incorporating the reduced coherence of quasiparticles occupying specific orbital states. This modifies the usual spin-fluctuation via suppression of pair scattering processes involving those less coherent states and results in orbital selective Cooper pairing of electrons in the remaining states. We show that this parad…
We demonstrate the formation of robust zero energy modes close to magnetic impurities in the iron-based superconductor FeSe$_{1-x}$Te$_x$. We find that the Zeeman field generated by the impurity favors a spin-triplet inter-orbital pairing as opposed to the spin-singlet intra-orbital pairing prevalent in the bulk. The preferred spin-triplet pairing preserves time-reversal symmetry and is topological, as robust, topologically-protected zero modes emerge at the boundary between regions with different pairing states. Moreover, the zero modes form Kramers doublets that are insensitive to the direct…
Motivated by recent experimental reports of significant spin-orbit coupling (SOC) and a sign-changing order-parameter in the Li$_{1-x}$Fe$_x$(OHFe)$_{1-y}$Zn$_y$Se superconductor with only electron pockets present, we study the possible Cooper-pairing symmetries and their quasiparticle interference (QPI) signatures. We find that each of the resulting states - $s$-wave, $d$-wave and helical $p$-wave - can have a fully gapped density of states (DOS) consistent with angle-resolved photoemission spectroscopy (ARPES) experiments and, due to spin-orbit coupling, are a mixture of spin singlet and tri…
Some of the iron pnictides show coexisting superconductivity and spin-density-wave order. We study the superconducting pairing instability in the spin-density-wave phase. Assuming that the pairing interaction is due to spin fluctuations, we calculate the effective pairing interactions in the singlet and triplet channels by summing the bubble and ladder diagrams taking the reconstructed band structure into account. The leading pairing instabilities and the corresponding superconducting gap structures are then obtained from the superconducting gap equation. We illustrate this approach for a mini…
The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the multi-orbital nature of the electronic excitations. It is then important to understand the orbital-dependent effects of electron correlations. In this paper we review the recent theoretical progresses on the metal-to-insulator transition in multiorbital models for the iron-based superconductors. These include studies of models that contain at least the 3d xy and 3d xz/y…
We report self-consistent calculations of the gap symmetry for the iron-based high-temperature superconductors using realistic small-q phonon mediated pairing potentials and four-band energy dispersions. When both electron and hole Fermi surface pockets are present, we obtain the nodeless $s_\pm$ state that was first encountered in a spin-fluctuations mechanism picture. Nodal gap structures such as $d_{x^2-y^2}$ and $s_\pm+d_{x^2-y^2}$ and even a p-wave triplet state, are accessible upon doping within our phononic mechanism. Our results resolve the conflict between phase sensitive experiments …
We report neutron inelastic scattering measurements on the stoichiometric iron-based superconductor LiFeAs. We find evidence for (i) magnetic scattering consistent with strong antiferromagnetic fluctuations, and (ii) an increase in intensity in the superconducting state at low energies, similar to the resonant magnetic excitation observed in other iron-based superconductors. The results do not support a recent theoretical prediction of spin-triplet p-wave superconductivity in LiFeAs, and instead suggest that the mechanism of superconductivity is similar to that in the other iron-based supercon…
We analyze the magnetic excitations and the spin-mediated superconductivity in iron-based superconductors within a low-energy model that operates in the band basis but fully incorporates the orbital character of the spin excitations. We show how the orbital selectivity, encoded in our low-energy description, simplifies substantially the analysis and allows for analytical treatments, while retaining all the main features of both spin-excitations and gap functions computed using multiorbital models. Importantly, our analysis unveils the orbital matching between the hole and electron pockets as t…
In the superconducting regime of FeTe$_{(1-x)}$Se$_x$, there exist two types of vortices which are distinct by the presence or absence of zero energy states in their core. To understand their origin, we examine the interplay of Zeeman coupling and superconducting pairings in three-dimensional metals with band inversion. Weak Zeeman fields are found to suppress the intra-orbital spin-singlet pairing, known to localize the states at the ends of the vortices on the surface. On the other hand, an orbital-triplet pairing is shown to be stable against Zeeman interactions, but leads to delocalized ze…
Recent experiments in optimally hole-doped iron arsenides have revealed a novel magnetically ordered ground state that preserves tetragonal symmetry, consistent with either a charge-spin density wave (CSDW), which displays a non-uniform magnetization, or a spin-vortex crystal (SVC), which displays a non-collinear magnetization. Here we show that, similarly to the partial melting of the usual stripe antiferromagnet into a nematic phase, either of these phases can also melt in two stages. As a result, intermediate paramagnetic phases with vestigial order appears: a checkerboard charge density-wa…
We discuss the role of strong Coulomb interactions in iron-based superconductors (FeSCs). The presumed $s^{\pm}$ character of these superconductors means that the condensate is not symmetry protected against Coulomb repulsion. Remarkably, the transition temperatures and the excitation gap are quite robust across the large family of iron based superconductors, despite drastic changes in Fermi surface geometry. The Coulomb problem is to understand how these superconductors avoid the strong onsite Coulomb interaction at the iron atoms, while maintaining a robust transition temperature. Within the…
The orbital multiplicity in multiband superconductors yields orbital differentiation in normal-state properties, and can lead to orbital-selective spin-fluctuation Cooper pairing. This phenomenon has become increasingly pivotal in clarifying the pairing 'enigma' particularly for multiband high-temperature superconductors. In one-unit-cell (1-UC) FeSe/SrTiO3, the thinnest and highest-Tc member of iron-based superconductors, the standard electron-hole Fermi pocket nesting scenario is apparently not applicable since the Gamma-centered hole pockets are absent, so the actual pairing mechanism is th…
We suggest that an inhomogeneous (non-zero momentum) paired phase can appear in the absence of an external magnetic field in the system with a predominant interband pairing and with separate Fermi-surface sheets. The Fermi wave vector mismatch which appears in such situation can be compensated by nonzero center-of-mass momentum of the Cooper pairs, what can lead to a spontaneous appearance of the Fulde-Ferrell type of superconducting state. The idea is examined using a tight-binding model which emulates the hole-like and the electron-like bands of iron based superconductor. The state can appea…
Pairing symmetry in oxypnictides, a new family of multiband high-Tc superconductors, is partially imposed by the positions of multiple Fermi pockets, which itself can give rise to new order parameters, such as s+,- states or the state of dx^2-y^2 symmetry. Other pairing states may appear on small pockets for long range interactions, but they are expected to be sensitive to defects. We identify the competing antiferromagnetic order with the triplet exciton transition in the semi- metallic background and discuss whether its coexistence with superconductivity explains the doping dependence of Tc.
From heavy fermions to cuprates and iron pnictides, a spin resonance is a staple of nearly magnetic superconductors. Possible explanations include a two-particle bound state or loss of magnon damping in the superconductor. While both scenarios suggest a central role for magnetic fluctuations, distinguishing them is important to identify the right theoretical framework and to guide the search for higher temperature superconductors. Using inelastic neutron scattering technique, we show that the spin resonance in optimally doped Fe(Se,Te) splits into three peaks in a high magnetic field, a signat…
We construct the symmetry adapted low energy effective Hamiltonian for the electronic states in the vicinity of the Fermi level in iron based superconductors. We use Luttinger's method of invariants, expanding about Gamma and M points in the Brillouin zone corresponding to two iron unit cell, and then matching the coefficients of the expansion to the 5- and 8-band models. We then use the method of invariants to study the effects of the spin-density wave order parameters on the electronic spectrum, with and without spin-orbit coupling included. Among the results of this analysis is the finding …
In the present article we discuss theoretically the emergence of superconductivity in field cooled $FeCr_2S_4$. The chromium electrons form a triplet $t_{2g}$ states and due to antiferromagnetic exchange with the iron spins have Zeeman splitting. Applied, during preparation, magnetic field along the moment of iron ions, successively compensates the Zeeman splittings. The chromium electrons with zero Zeeman energy form Cooper pairs induced by iron magnons. In that way, we predict theoretically the existence of sequence of superconducting states in field cooled $FeCr_2S_4$. Actually there are th…
We use inelastic neutron scattering to study the low-energy spin excitations of 112-type iron pnictide Ca$_{0.82}$La$_{0.18}$Fe$_{0.96}$Ni$_{0.04}$As$_{2}$ with bulk superconductivity below $T_c=22$ K. A two-dimensional spin resonance mode is found around $E=$ 11 meV, where the resonance energy is almost temperature independent and linearly scales with $T_c$ along with other iron-based superconductors. Polarized neutron analysis reveals the resonance is nearly isotropic in spin space without any $L$ modulations. Due to the unique monoclinic structure with additional zigzag arsenic chains, the …
We perform a theoretical study of the leading pairing instabilities and the associated superconducting gap functions within the spin-fluctuation mediated pairing scenario in the presence of spin-orbit coupling (SOC). Focussing on iron-based superconductors (FeSCs), our model Hamiltonian consists of a realistic density functional theory (DFT)-derived ten-band hopping term, spin-orbit coupling, and electron-electron interactions included via the multi-orbital Hubbard-Hund Hamiltonian. We perform an extensive parameter sweep and investigate different doping regimes including cases with only hole-…
The interplay between electronic orders and superconductivity is central to the physics of unconventional superconductors, and is particularly pronounced in the iron-based superconductors. Motivated by recent experiments on FeSe, we study the superconducting pairing in its nematic phase in a multiorbital model with frustrated spin-exchange interactions. The electron correlations in the presence of the nematic order give rise to an enhanced orbital selectivity in the superconducting pairing amplitudes. This orbital-selective pairing produces a large gap anisotropy on the Fermi surface. Our resu…
In this letter, we address a novel mechanism for iron based superconductors. We study $F^{2+}$ state of iron with six 3d electrons. Five of them are localized with ferromagnetic order, while the sixth one is itinerant antiparallel with the localized ones. We consider spin-fermion model of 3d electrons and show that one can fix the parameters in the theory so that the calculated magnetization to match the experimentally measured one. With these parameters in mind we show that the sixth 3d electrons have well defined Fermi surfaces, therefore the material is metal. Further on we consider an iron…
We develop a phenomenological theory to predict the characteristic features of the momentum-dependent scattering amplitude in resonant inelastic x-ray scattering (RIXS) at the energy scale of the superconducting gap in iron-based superconductors. Taking into account all relevant orbital states as well as their specific content along the Fermi surface we evaluate the charge and spin dynamical structure factors for the compounds LaOFeAs and LiFeAs, based on tight-binding models which are fully consistent with recent angle-resolved photoemission spectroscopy (ARPES) data. We find a characteristic…
Pairing symmetry which characterizes the superconducting pairing mechanism is normally determined by measuring the superconducting gap structure ($|Δ_k|$). Here, we report the measurement of a strain-induced gap modulation ($\partial|Δ_k|$) in uniaxially strained Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ utilizing angle-resolved photoemission spectroscopy and $in$-$situ$ strain-tuning. We found that the uniaxial strain drives Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ into a nematic superconducting state which breaks the four-fold rotational symmetry of the superconducting pairing. The superconducting gap increase…
In general, conventional superconductivity should not occur in a ferromagnet, though it has been seen in iron under pressure. Moreover, theory predicts that the current is always carried by pairs of electrons in a spin singlet state, so conventional superconductivity decays very rapidly when in contact with a ferromagnet, which normally prohibits the existence of singlet pairs. It has been predicted that this rapid spatial decay would not occur when spin triplet superconductivity could be induced in the ferromagnet. Here we report a Josephson supercurrent through the strong ferromagnet CrO2, f…
The close interplay between superconductivity and antiferromagnetism in several quantum materials can lead to the appearance of an unusual thermodynamic state in which both orders coexist microscopically, despite their competing nature. A hallmark of this coexistence state is the emergence of a spin-triplet superconducting gap component, called $π$-triplet, which is spatially modulated by the antiferromagnetic wave-vector, reminiscent of a pair-density wave. In this paper, we investigate the impact of these $π$-triplet degrees of freedom on the phase diagram of a system with competing antiferr…
During the past 15 years a new field has emerged, which combines superconductivity and spintronics, with the goal to pave a way for new types of devices for applications combining the virtues of both by offering the possibility of long-range spin-polarized supercurrents. Such supercurrents constitute a fruitful basis for the study of fundamental physics as they combine macroscopic quantum coherence with microscopic exchange interactions, spin selectivity, and spin transport. This report follows recent developments in the controlled creation of long-range equal-spin triplet supercurrents in fer…
The capability to probe the dispersion of elementary spin, charge, orbital, and lattice excitations has positioned resonant inelastic x-ray scattering (RIXS) at the forefront of photon science. In this work, we will investigate how RIXS can contribute to a deeper understanding of the orbital properties and of the pairing mechanism in unconventional high-temperature superconductors. In particular, we will show how direct RIXS spectra of magnetic excitations can reveal long-range orbital correlations in transition metal compounds, by discriminating different kind of orbital order in magnetic and…
We present a comprehensive study of the low-temperature heat capacity and thermal expansion of single crystals of the hole-doped Ba1-xKxFe2As2 series (0<x<1) and the end-members RbFe2As2 and CsFe2As2. A large increase of the Sommerfeld coefficient is observed with both decreasing band filling and isovalent substitution (K, Rb, Cs) revealing a strong enhancement of electron correlations and the possible proximity of these materials to a Mott insulator. This trend is well reproduced theoretically by our Density-Functional Theory + Slave-Spin (DFT+SS) calculations, confirming that 122-iron pnicti…
It is widely perceived that the correlation effect may play an important role in several unconventional superconducting families, such as cuprate, iron-based and heavy-fermion superconductors. The application of high pressure can tune the ground state properties and balance the localization and itineracy of electrons in correlated systems, which may trigger unconventional superconductivity. Moreover, non-centrosymmetric structure may induce the spin triplet pairing which is very rare in nature. Here, we report a new compound ScZrCo1-$δ$ crystallizing in the Ti2Ni structure with the space group…
Pair density waves, identified by Cooper pairs with finite center-of-mass momentum, have recently been observed in copper oxide based high T$_\textrm{c}$ superconductors (cuprates). A charge density modulation or wave is also ubiquitously found in underdoped cuprates. Within a general mean-field one-band model we show that the coexistence of charge density waves and uniform superconductivity in $d$-wave superconductors like cuprates, generates an odd-frequency spin-singlet pair density wave, in addition to the even-frequency counterparts. The strength of the induced odd-frequency pair density …
Superconductivity-Enabled Conversion of Ferromagnetic Resonance into Standing Spin Waves
HSE University（高等经济大学）；Russian Quantum Center（俄罗斯量子中心）；Moscow Institute of Physics and Technology（莫斯科物理技术学院）；Physical-Technical Institute, Vernadsky Crimean Federal University（维尔纳茨克克里米亚联邦大学物理技术研究所）；Centre for Advanced Mesoscience and Nanotechnology, Moscow Institute of Physics and Technology（莫斯科物理技术学院先进介观科学与纳米技术中心）；Lomonosov Moscow State University（莫斯科罗蒙诺索夫国立大学）
Revealing Hidden Unconventional Pairing through Nonreciprocal Transport
International Center for Quantum Materials, School of Physics, Peking University（北京大学物理学院量子材料科学中心）；Beijing Academy of Quantum Information Sciences（北京量子信息科学研究院）；Department of Physics, Hong Kong University of Science and Technology（香港科技大学物理系）；Department of Physics, The University of Tokyo（东京大学物理学系）；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国家重点实验室）；School of Physical Science and Technology, Soochow University（苏州大学物理科学与技术学院）；Institute for Advanced Study, Soochow University（苏州大学未来技术学院）；Interdisciplinary Center for Theoretical Physics and Information Sciences, Fudan University（复旦大学理论物理与信息科学交叉研究中心）；Hefei National Laboratory（合肥国家实验室）
