The superconductivity of high transition temperature (Tc) occurs in copper oxides with carrier-doping to an antiferromagnetic (AF) Mott insulator. This discovery more than thirty years ago immediately led to a prediction about the formation of a small Fermi pocket. This structure, however, has not yet been detected, while it could be a key element in relating high-Tc superconductivity to Mott physics. To address this long-standing issue, we investigate the electronic structure of a five-layered Ba2Ca4Cu5O10(F,O)2 with inner CuO2 planes demonstrated to be cleanest ever in cuprates. Most surprisingly, we find small Fermi surface (FS) pockets closed around (pi/2,pi/2) consistently by angle-resolved photoemission spectroscopy (ARPES) and quantum oscillation measurements. The d-wave superconducting gap opens along the pocket, revealing the coexistence between the superconductivity and AF order in the same CuO2 sheet. Our data further indicate that the superconductivity can occur without contribution from the states near the antinodal region, which are shared by other competing excitations such as the charge density wave (CDW) and pseudogap states. This will have significant implications for understanding the superconductivity and puzzling Fermi arc phenomena in cuprates.
The surprise discovery of superconductivity below 5K in sodium cobalt oxides when hydrated with water has caught the attention of experimentalists and theorists alike. Most explanations for its occurence have focused heavily on the properties of some small elliptically shaped pockets predicted to be the electronically dominant Fermi surface sheet, but direct attempts to look for them have instead cast serious doubts over their existence. Here we present evidence that these pockets do indeed exist, based on bulk measurements of the electron momentum distribution in unhydrated and hydrated sodiu…
We discuss the sign change of superconducting order parameters in both real and reciprocal spaces when the odd parity spin singlet pairing proposed recently in\cite{huoddparity} is allowed. We show that in this case an nodeless anti-phase $s^\pm$ can be generated. In a 2-Fe Brilliouin zone (BZ), sign change exists between two hole pockets and between two electron pockets. In a 1-Fe BZ which includes two 2-Fe BZs, the sign change is between two 2-Fe BZs, which leads to a d-wave type sign distribution on the electron pockets, namely, an anti-phase $s^\pm$ state with no symmetry protected gapless…
We performed a high-resolution angle-resolved photoemission spectroscopy study of the Tl$_{0.63}$K$_{0.37}$Fe$_{1.78}$Se$_2$ superconductor ($T_c=29$ K). We show the existence of two electronlike bands at the M$(π, 0)$ point which cross the Fermi level at similar Fermi wave vectors to form nearly circular electronlike Fermi surface pockets. We observe a nearly isotropic $\sim$ 8.5 meV superconducting gap ($Δ/k_BT_c\sim 7$) on these Fermi surfaces. Our analysis of the band structure around the Brillouin zone centre reveals two additional electronlike Fermi surfaces: a very small one and a large…
We have performed high-resolution angle-resolved photoemission spectroscopy on the optimally-doped Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ compound and determined the accurate momentum dependence of the superconducting (SC) gap in four Fermi-surface sheets including a newly discovered outer electron pocket at the M point. The SC gap on this pocket is nearly isotropic and its magnitude is comparable ($Δ$ $\sim$ 11 meV) to that of the inner electron and hole pockets ($\sim$12 meV), although it is substantially larger than that of the outer hole pocket ($\sim$6 meV). The Fermi-surface dependence of the S…
Here we apply high resolution angle-resolved photoemission spectroscopy (ARPES) using a wide excitation energy range to probe the electronic structure and the Fermi surface topology of the Ba1-xKxFe2As2 (Tc = 32 K) superconductor. We find significant deviations in the low energy band structure from that predicted in calculations. A set of Fermi surface sheets with unexpected topology is detected at the Brillouin zone boundary. At the X-symmetry point the Fermi surface is formed by a shallow electron-like pocket surrounded by four hole-like pockets elongated in G-X and G-Y directions.
Density functional calculations are used to investigate the doping dependence of the electronic structure and magnetic properties in hexagonal Na$_x$CoO$_2$. The electronic structure is found to be highly two dimensional, even without accounting for the structural changes associated with hydration. At the local spin density approximation level, a weak itinerant ferromagnetic state is predicted for all doping levels in the range $x=0.3$ to $x=0.7$, with competing but weaker itinerant antiferromagnetic solutions. The Fermi surface, as expected, consists of simple rounded hexagonal cylinders, wit…
LiFeAs is unique among the arsenic based Fe-pnictide superconductors because it is the only nearly stoichiometric compound which does not exhibit magnetic order. This is at odds with electronic structure calculations which and a very stable magnetic state and predict cylindrical hole- and electron-like Fermi surface sheets whose geometry suggests spin uctuations and a possible instability toward long-range ordering at the nesting vector. In fact, a complex magnetic phase-diagram is indeed observed in the isostructural NaFeAs compound. Previous angle resolved photoemission (ARPES) experiments r…
We review recent experimental measurements of the Fermi surface of the iron-pnictide superconductor LaFePO using quantum oscillation techniques. These studies show that the Fermi surface topology is close to that predicted by first principles density functional theory calculations, consisting of quasi-two-dimensional electron-like and hole-like sheets. The total volume of the two hole sheets is almost equal to that of the two electron sheets, and the hole and electron Fermi surface sheets are close to a nesting condition. No evidence for the predicted three dimensional pocket arising from the …
We report the measurements of de Haas-van Alphen (dHvA) oscillations in the noncentrosymmetric superconductor BiPd. Several pieces of a complex multi-sheet Fermi surface are identified, including a small pocket (frequency 40 T) which is three dimensional and anisotropic. From the temperature dependence of the amplitude of the oscillations, the cyclotron effective mass is ($0.18$ $\pm$ 0.1) $m_e$. Further analysis showed a non-trivial $π$-Berry phase is associated with the 40 T pocket, which strongly supports the presence of topological states in bulk BiPd and may result in topological supercon…
We have performed an angle-resolved photoemission spectroscopy (ARPES) study of the undoped and electron-doped iron pnictides BaFe2\_{-x}CoxAs2 (Ba122) (x=0, 0.14) and studied the Fermi surfaces (FSs) and band dispersions near the Fermi level. The FS sheets we observed are consistent with the shrinkage of the hole-like pockets around the Brillouin Zone (BZ) center and the expansion of the electron pockets around the BZ corner in the electron-doped compound as compared to the undoped parent compound. Band dispersions and FSs around the BZ center strongly depend on the photon energy, indicating …
We report high-resolution, bulk Compton scattering measurements unveiling the Fermi surface of an optimally-doped iron-arsenide superconductor, Ba(Fe$_{0.93}$Co$_{0.07}$)$_2$As$_2$. Our measurements are in agreement with first-principles calculations of the electronic structure, revealing both the $X$-centered electron pockets and the $Γ$-centered hole pockets. Moreover, our data are consistent with the strong three-dimensionality of one of these sheets that has been predicted by electronic structure calculations at the local-density-approximation-minimum As position. Complementary calculation…
Superconductivity in alkali-intercalated iron selenide, with T_c's of 30K and above, may have a different origin than that of the other Fe-based superconductors, since it appears that the Fermi surface does not have any holelike sheets centered around the Gamma point. Here we investigate the symmetry of the superconducting gap in the framework of spin-fluctuation pairing calculations using density functional theory bands downfolded onto a three-dimensional (3D), ten-orbital tight-binding model, treating the interactions in the random-phase approximation (RPA). We find a leading instability tow…
We study the dynamical quasiparticle scattering by spin and charge fluctuations in Fe-based pnictides within a five-orbital model with on-site interactions. The leading contribution to the scattering rate is calculated from the second-order diagrams with the polarization operator calculated in the random-phase approximation. We find one-particle scattering rates which are highly anisotropic on each Fermi surface sheet due to the momentum dependence of the spin susceptibility and the multi-orbital composition of each Fermi pocket. This fact, combined with the anisotropy of the effective mass, p…
We use high resolution angle resolved photoemission spectroscopy and density functional theory with experimentally obtained crystal structure parameters to study the electronic properties of CaKFe4As4. In contrast to related CaFe2As2 compounds, CaKFe4As4 has high Tc of 35K at stochiometric composition. This presents unique opportunity to study properties of high temperature superconductivity of iron arsenic superconductors in absence of doping or substitution. The Fermi surface consists of three hole pockets at $Γ$ and two electron pockets at the $M$ point. We find that the values of the super…
Electronic structures of orthorhombic ternary nickel silicides: superconducting Lu2Ni3Si5 and its non-superconducting counterpart, Y2Ni3Si5, have been calculated employing the fully-relativistic and full-potential local-orbital method within the density functional theory. Our investigations were focused particularly on the band structures and Fermi surfaces (FSs), being very similar for both ternaries. It appears that their FSs exist in four bands and contain electronlike and holelike three-dimensional sheets and small pockets, which suggests a presence of two- or even multi-band superconducti…
In-plane resistivity anisotropy was measured in strain-detwinned as-grown and partially annealed samples of isovalently-substituted $\mathrm{Ba(Fe_{1-x}Ru_{x})_{2}As_{2}}$ ($0<x \leq 0.125$) and the results were contrasted with previous reports on anneal samples with low residual resistivity. In samples with high residual resistivity, detwinned with application of strain, the difference of the two components of in-plane resistivity in the orthorhombic phase, $ρ_a -ρ_b$, was found to obey Matthiessen rule irrespective of sample composition, which is in stark contrast with observations on anneal…
Superconductivity in FeSe has recently attracted a great deal of attention because it emerges out of an electronic nematic state of elusive character. Here we study both the electronic normal state and the superconducting gap structure using heat-capacity measurements on high-quality single crystals. The specific-heat curve, from 0.4 K to Tc = 9.1 K, is found to be consistent with a recent gap determination using Bogoliubov quasiparticle interference [P. O. Sprau et al., Science 357, 75 (2017)], however only if nodes are introduced on either the electron or the hole Fermi-surface sheets. Our a…
The lack of nesting of the electron and hole Fermi-surface sheets in the Fe-based superconductor LiFeAs, with a critical temperature of 18 K, has led to questions as to whether the origin of superconductivity in this material might be different from other Fe-based superconductors. Both angle-resolved photoemission and quasiparticle interference experiments have reported fully gapped superconducting order parameters with significant anisotropy. The system is also of interest because relatively strong correlations seem to be responsible for significant renormalization of the hole bands. Here we …
By means of the first-principles calculations, we have studied in details the structural, elastic and electronic properties of the new tetragonal CaBe2Ge2-type 5.2K superconductor SrPt2As2 in comparison with two hypothetical SrPt2As2 polymorphs with ThCr2Si2-type structures which differ by atomic configurations of [Pt2As2] (or [Pt2As2]) blocks. We have found that CaBe2Ge2-type SrPt2As2 is a quite unique system with complicated 2D-3D character of near-Fermi bands, and the "intermediate" type of the Fermi surface, which consists of electronic pockets having cylinder-like (2D) topology (typical f…
We report angle-resolved photoemission experiments resolving the distinct electronic structure of the inequivalent top and bottom (001) surfaces of WTe2. On both surfaces, we identify a surface state that forms a large Fermi-arc emerging out of the bulk electron pocket. Using surface electronic structure calculations, we show that these Fermi arcs are topologically trivial and that their existence is independent of the presence of type-II Weyl points in the bulk band structure. This implies that the observation of surface Fermi arcs alone does not allow the identification of WTe2 as a topologi…
We report the first comprehensive high-resolution angle-resolved photoemission measurements on CeFeAsO, a parent compound of FeAs-based high temperature superconductors with a mangetic/structural transition at $\sim$150 K. In the magnetic ordering state, four hole-like Fermi surface sheets are observed near $Γ$(0,0) and the Fermi surface near M(+/-$π$,+/-$π$) shows a tiny electron-like pocket at M surrounded by four Dirac cone-like strong spots. The unusual Fermi surface topology deviates strongly from the band structure calculations. The electronic signature of the magnetic/structural transit…
We study the spin resonance in superconducting state of iron-based materials within multiband models with two unequal gaps, $Δ_L$ and $Δ_S$, on different Fermi surface pockets. We show that due to the indirect nature of the gap entering the spin susceptibility at the nesting wave vector $\mathbf{Q}$ the total gap $\tildeΔ$ in the bare susceptibility is determined by the sum of gaps on two different Fermi surface sheets connected by $\mathbf{Q}$. For the Fermi surface geometry characteristic to the most of iron pnictides and chalcogenides, the indirect gap is either $\tildeΔ= Δ_L + Δ_S$ or $\ti…
We performed point-contact Andreev reflection spectroscopy measurements in Ca(Fe_{1-x}Co_x)2As2 single crystals with effective x=0.060 +- 0.005. The spectra of ab-plane contacts show a zero-bias maximum and broad shoulders at about 5-6 meV. Their fit with the three-dimensional Blonder-Tinkham-Klapwijk model (making use of a analytical expression for the Fermi surface that mimics the one calculated from first principles) shows that this compound presents a large isotropic gap on the quasi-2D electronlike Fermi surface sheets and a smaller anisotropic (possibly nodal) gap on the 3D holelike Ferm…
We use relativistic ab-initio methods combined with model Hamiltonian approaches to analyze the normal-phase electronic and structural properties of the recently discovered WP superconductor. Remarkably, the outcomes of such study can be employed to set fundamental connections among WP and the CrAs and MnP superconductors belonging to the same space group. One of the key features of the resulting electronic structure is represented by the occurrence of multiple band crossings along specific high symmetry lines of the Brilloiun zone. In particular, we demonstrate that the eight-fold band degene…
We develop a weak coupling approach to superconductivity in twisted bilayer graphene, starting from the Fermi liquid regime. A key observation is that near half filling, the fermiology consists of well nested Fermi pockets derived from opposite valleys, leading to enhanced valley fluctuation, which in turn can mediate superconductivity. This scenario is studied within the random phase approximation. We find that inter-valley electron pairing with either chiral ($d+i d$ mixed with $p-i p$) or helical form factor is the dominant instability. An approximate SO(4) spin-valley symmetry implies a ne…
We report an angle-resolved photoemission investigation of optimally-doped Ca$_{0.33}$Na$_{0.67}$Fe$_2$As$_2$. The Fermi surface topology of this compound is similar to that of the well-studied Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ material, except for larger hole pockets resulting from a higher hole concentration per Fe atoms. We find that the quasi-nesting conditions are weakened in this compound as compared to Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$. As with Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ though, we observe nearly isotropic superconducting gaps with Fermi surface-dependent magnitudes. A small variation …
In the presence of both space and time reversal symmetries, an s-wave A1g superconducting state is usually topologically trivial. Here we demonstrate that an exception can take place in a type of nonsymmorphic lattice structures. We specify the demonstration in a system with a centrosymmetric space group P4/nmm, the symmetry group that governs iron-based superconductors, by showing the existence of a second-order topological state protected by a mirror symmetry. The topological superconductivity is featured by 2Z degenerate Dirac cones on the (1,0) edge, and Z pairs of Majorana modes at the in…
The density-of-states at the Fermi energy, $N(E_F)$, is low in doped superconducting semiconductors and high-$T_C$ cuprates. This contrasts with the common view that superconductivity requires a large electron-boson coupling $λ$ and therefore also a large $N(E_F)$. However, the generic Fermi surfaces (FS) of these systems are relatively simple. Here is presented arguments showing that going from a 3-dimensional multi-band FS to a 2-dimensional and simple FS is energetically favorable to superconductivity. Nesting and few excitations of bosons compensate for a low $N(E_F)$. The typical behavior…
Anomalously high quasiparticle thermal conductivity in the underdoped cuprate superconductor HgBa$_{2}$CuO$_{4+δ}$
Université de Sherbrooke（舍布鲁克大学）；CEA Saclay（法国原子能和替代能源委员会萨克莱中心）；CNRS UPR3228, Univ. Grenoble Alpes, Univ. Toulouse, INSA-T（法国国家科学研究中心、格勒诺布尔阿尔卑斯大学、图卢兹大学）；IRL Frontières Quantiques, Université de Sherbrooke–CNRS（量子前沿研究所，舍布鲁克大学-法国国家科学研究中心）；Canadian Institute for Advanced Research（加拿大高级研究院）
Hourglass-like band structures protected by nonsymmorphic space group symmetries can appear along high-symmetry lines or in high-symmetry surfaces in the Brillouin zone. In this work, from symmetry analysis, we demonstrate that $n$-hourglass-like band structures, a generalization of hourglass-like band structures, which host a number of Weyl points, are enforced along screw-invariant lines in non-magnetic materials with a single $N$-fold screw axis when spin-orbit coupling is finite, where $n$, a non-unity factor of $N$, denotes the degree of the screw-invariant line. The "standard" $n$-hourgl…
Multigap superconductivity in Ising superconductors: The case of (LaSe)1.14(NbSe2)m misfit layer compounds
Sorbonne Université（索邦大学）；CNRS-UMR 7588（法国国家科学研究中心联合研究实验室7588）；Université Paris-Saclay（巴黎萨克雷大学）；Centre de Nanosciences et de Nanotechnologies（纳米科学与技术中心）；Institute of Experimental Physics, Slovak Academy of Sciences（斯洛伐克科学院实验物理研究所）；P. J. Safarik University（帕尔沙菲里克大学）；Universität Würzburg（维尔茨堡大学）；Université de Nantes（南特大学）；Institut des Matériaux Jean Rouxel（让·鲁克塞尔材料研究所）；CNR-SPIN（意大利国家研究委员会自旋物理研究所）；Università degli Studi dell’Aquila（阿奎拉大学）；University of Trento（特伦托大学）
Electronic structure, dimer physics, orbital-selective behavior, and magnetic tendencies in the bilayer nickelate superconductor La$_3$Ni$_2$O$_7$ under pressure
基于{\it ab initio}技术，研究了双层La$_3$Ni$_2$O$_7$在压力下的电子结构与磁性，揭示了其由$d_{3z^2-r^2}$轨道形成的二聚体晶格、双轨道最小模型、异常的轨道间跃迁及主导的自旋条纹序。
