Using the unrestricted Hartree-Fock approximation and Landau theory we identify possible phases competing with superconductivity in FeAs layers. We find that close to half-filling the transition from the paramagnet to the magnetically ordered phase is first-order making anharmonicities relevant and leading to a rich phase diagram. Between the already known one dimensionally modulated magnetic stripe phase and the paramagnet we find a new phase which has the same structure factor as the former but in which magnetic moments at nearest-neighbor sites are at right angles making electrons to acquire a non trivial phase when circulating a plaquette at strong coupling. Another competing phase has magnetic and charge order and may be stabilized by charged impurities.
The interplay between different ordered phases, such as superconducting, charge or spin ordered phases, is of central interest in condensed matter physics. The very recent discovery of superconductivity with a remarkable T$_c$= 26 K in Fe-based oxypnictide La(O$_{1-x}$F$_x$)FeAs is a surprise to the scientific community\cite{Kamihara08}. The pure LaOFeAs itself is not superconducting but shows an anomaly near 150 K in both resistivity and dc magnetic susceptibility. Here we provide combined experimental and theoretical evidences showing that the anomaly is caused by the spin-density-wave (SDW)…
We propose a finite temperature Landau theory that describes competing orders and interlayer tunneling in cuprate superconductors as an important extension to a corresponding theory at zero temperature [Nature {\bf 428}, 53 (2004)], where the superconducting transition temperature $T_c$ is defined in three possible ways as a function of the zero temperature order parameter. For given parameters, our theory determines $T_c$ without any ambiguity. In mono- and double-layer systems we discuss the relation between zero temperature order parameter and the associated transition temperature in the pr…
The recently discovered infinite-layer nickelates show great promise in helping to disentangle the various cooperative mechanisms responsible for high-temperature superconductivity. However, lack of antiferromagnetic order in the pristine nickelates presents a challenge for connecting the physics of the cuprates and nickelates. Here, by using a quantum many-body Green's function-based approach to treat the electronic and magnetic structures, we unveil the presence of many two- and three-dimensional magnetic stripe instabilities that are shown to persist across the phase diagram of LaNiO$_2$. O…
High temperature superconductivity emerges in unique materials, like cuprates, that belong to the class of heterostructures at atomic limit, made of a superlattice of superconducting atomic layers intercalated by spacer layers. The physical properties of a strongly correlated electronic system, emerge from the competition between different phases with a resulting inhomogeneity from nanoscale to micron scale. Here we focus on the spatial arrangements of two types of structural defects in the cuprate La2CuO4+y : i) the local lattice distortions in the CuO2 active layers and ii) the lattice disto…
We examine the low temperature behavior of the mixed state of a layered superconductor in the vicinity of a quantum critical point separating a pure superconducting phase from a phase in which a competing order coexists with superconductivity. At zero temperature, we find that there is an avoided critical point in the sense that the phase boundary in the limit $B\to 0$ does not connect to the B=0 critical point. Consequently, there exists a quasi-1D regime of the phase diagram, in which the competing order is largely confined to 1D ``halos'' about each vortex core, and in which interactions be…
We report a study of the Ca$_{0.73}$La$_{0.27}$FeAs$_2$ single crystals. We unravel a monoclinic to triclinic phase transition at 58 K, and a paramagnetic to stripe antiferromagnetic (AFM) phase transition at 54 K, below which spins order 45$^\circ$ away from the stripe direction. Furthermore, we demonstrate this material is substantially structurally untwinned at ambient pressure with the formation of spin rotation walls (S-walls). Finally, in addition to the central-hole and corner-electron Fermi pockets usually appearing in Fe pnictide superconductors, angle-resolved photoemission (ARPES) m…
In certain unconventional superconductors with sizable electronic correlations, the availability of closely competing pairing channels leads to characteristic soft collective fluctuations of the order parameters, which leave fingerprints in many observables and allow to scrutinize the phase competition. Superconducting layered materials, where electron-electron interactions are enhanced with decreasing thickness, are promising candidates to display these correlation effects. In this work, we report the existence of a soft collective mode in single-layer NbSe$_2$, observed as a characteristic r…
We propose a simple effective model to describe FeAs superconductors. This model is based on the assumption of a local spin-density-wave (SDW) order, with its magnetization direction allowed to fluctuate. It is shown that the long-range order with momentum Q=(π,π) is generally unstable in competing with the kinetic energy of the charge carriers. A true weak SDW order is formed in the undoped case with an additional momentum shift Q_s=(π, 0) due to the peculiar Fermi surface nesting. In the doped case, the unstable long-range order driven by kinetic energy can naturally result in a d-wave super…
A series of layered CeO$_{1-x}$F$_x$FeAs compounds with x=0 to 0.20 are synthesized by solid state reaction method. Similar to the LaOFeAs, the pure CeOFeAs shows a strong resistivity anomaly near 145 K, which was ascribed to the spin-density-wave instability. F-doping suppresses this instability and leads to the superconducting ground state. Most surprisingly, the superconducting transition temperature could reach as high as 41 K. The very high superconducting transition temperature strongly challenges the classic BCS theory based on the electron-phonon interaction. The very closeness of the …
We show that the competition between magnetism and superconductivity can be used to determine the pairing state in the iron arsenides. To this end we demonstrate that the itinerant antiferromagnetic phase (AFM) and the unconventional $s^{+-}$ sign-changing superconducting state (SC) are near the borderline of microscopic coexistence and macroscopic phase separation, explaining the experimentally observed competition of both ordered states. In contrast, conventional $s^{++}$ pairing is not able to coexist with magnetism. Expanding the microscopic free energy of the system with competing orders …
One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested. Using the density functional methods that have predicted Fermi surfaces correctly in SrFe$_2$P$_2$, we find that the recently reported superconducting Sr$_2$VO$_3$FeAs, with $T_c$=37 K and no apparent competition between magnetism and superconductivity, possesses different Fermi surface geometry and character than previous classes of iron pnictides. The interve…
FeAs- single layer is tested as a simple model for LaFeAsO and BaFe2As2 based on first-principles calculations using generalized gradient approximation (GGA) and GGA+U. The calculated single- layer geometric and electronic structures are inconsistent with that of bulk materials. The bulk collinear antiferromagnetic ground state is failed to be obtained in the FeAs- single layer. The monotonous behavior of the Fe-As distance in z direction upon electron or hole doping is also in contrast with bulk materials. Our results indicate that, in LaFeAsO and BaFe2As2, interactions between FeAs layer and…
A new iron-based superconductor (Ca,Pr)FeAs2 was discovered. Plate-like crystals of the new phase were obtained and crystal structure was investigated by single-crystal X-ray diffraction analysis. The structure was identified as the monoclinic system with space group P21/m, and is composed of two Ca(Pr) planes, anti-fluorite Fe2As2 layers, and As2 zigzag chain layers. Plate-like crystals composed of the new phase showed superconductivity with Tc ~20 K in both magnetization and resistivity measurements.
We report a $^{23}$Na and $^{75}$As nuclear magnetic resonance (NMR) investigation of Na$_{x}$FeAs series ($x=1$, 0.9, 0.8) exhibiting a spin-density wave (SDW) order below $T_{\rm SDW}=45$, 50 and 43 K for $x=1$, 0.9, 0.8, respectively, and a bulk superconductivity below $T_c\approx 12$ K for x=0.9. Below $T_{\rm SDW}$, a spin-lattice relaxation reveals the presence of gapless particle-hole excitations in the whole $x$ range, meaning that a portion of the Fermi surface remains gapless. The superconducting fraction as deduced from the bulk susceptibility scales with this portion, while the SDW…
The recently discovered compounds Ca10(Fe1-xPtxAs)10(Pt3+yAs8) exhibit superconductivity up to 38 K, and contain iron arsenide (FeAs) and platinum arsenide (Pt3+yAs8) layers separated by layers of Ca atoms. We show that high Tc's above 15 K only emerge if the iron-arsenide layers are at most free of platinum-substitution (x \rightarrow 0) in contrast to recent reports. In fact Pt-substitution is detrimental to higher Tc, which increases up to 38 K only by charge doping of pure FeAs layers. We point out, that two different negatively charged layers [(FeAs)10]n- and (Pt3+yAs8)m- compete for the …
We introduce a two-dimensional Chern insulator in proximity to a $d$-wave pseudogap state of the high-T$_c$ superconducting material as an effective platform to realize the higher order topological system. The proximity-induced $d$-density-wave (DDW) order in the Chern insulator layer serves as an effective mass. The edge states will be fully gapped by this DDW order. In the real space, the sign of the DDW order parameter changes at the system corners due to the $d$-wave factor, leading to the gapless corner states, indicating that this system may be in a higher order topological state. The hi…
We report magnetometry data obtained on twin-free single crystals of Na3Co2SbO6, which is considered a candidate material for realizing the Kitaev honeycomb model for quantum spin liquids. Contrary to a common belief that such materials can be modeled with the symmetries of an ideal honeycomb lattice, our data reveal a pronounced two-fold symmetry and in-plane anisotropy of over 200%, despite the honeycomb layer's tiny orthorhombic distortion of less than 0.2%. We further use magnetic neutron diffraction to elucidate a rich variety of field-induced phases observed in the magnetometry. These ph…
Polycrystalline samples of Sr2Mn2CuAs2O2, Sr2Mn3As2O2, and Sr2Zn2MnAs2O2 were synthesized. Their temperature- and applied magnetic field-dependent structural, transport, thermal, and magnetic properties were characterized by means of x-ray and neutron diffraction, electrical resistivity rho, heat capacity, magnetization and magnetic susceptibility measurements. These compounds have a body-centered-tetragonal crystal structure (space group I4/mmm) that consists of MO2 (M = Zn and/or Mn) oxide layers similar to the CuO2 layers in high superconducting transition temperature Tc cuprate superconduc…
A defining signature of strongly correlated electronic systems is the existence of competing phases with similar ground state energies, resulting in a rich phase diagram. While in the recently discovered nickelate superconductors, a high antiferromagnetic exchange energy has been reported, which implies the existence of strong electronic correlations, signatures of competing phases have not yet been observed. Here, we uncover a charge order (CO) in infinite-layer nickelates La1-xSrxNiO2 using resonant x-ray scattering across the Ni L-edge. In the parent compound, the CO arranges along the Ni-O…
Superconducting devices, which rely on modulating a complex superconducting order parameter in a Josephson junction, have been developed for low power logic operations, high-frequency oscillators, and exquisite magnetic field sensors. Magnetic devices, which rely on the modulation of a local vector order parameter- the local magnetic moment, have been used as memory elements, high-frequency spin-transfer oscillators, and magnetic field sensors. In a hybrid superconducting-magnetic device, these two order parameters compete, with one type of order suppressing the other. Recent interest in ultra…
The magnetic properties of BaFe$_{2}$As$_{2}$(001) surface have been studied by using first-principles electronic structure calculations. We find that for As-terminated surface the magnetic ground state of the top-layer FeAs is in the staggered dimer antiferromagnetic (AFM) order, while for Ba-terminated surface the collinear (single stripe) AFM order is the most stable. When a certain coverage of Ba or K atoms are deposited onto the As-terminated surface, the calculated energy differences among different AFM orders for the top-layer FeAs on BaFe$_{2}$As$_{2}$(001) can be much reduced, indicat…
Motivated by recent experiments [H. Zhou, \emph{et al.}, Science {\bf 375}, 774 (2022) and S. C. de la Barrera, \emph{et al.}, arXiv:2110.13907], here we propose a general mechanism for valley and/or spin degeneracy lifting of the electronic bands in doped Bernal bilayer graphene, subject to electric displacement ($D$) fields. A $D$-field induced layer polarization (LP), when accompanied by Hubbard repulsion driven layer antiferromagnet (LAF) and next-nearest-neighbor repulsion driven quantum anomalous Hall (QAH) orders, lifts the four-fold degeneracy of electronic bands, yielding a quarter me…
Competing incommensurability, electronic correlations, and superconductivity in a hybrid transition metal dichalcogenide
Weizmann Institute of Science（魏茨曼科学研究所）；University of Hamburg（汉堡大学）；Bar Ilan University（巴伊兰大学）；The Pennsylvania State University（宾夕法尼亚州立大学）；Technion - Israel Institute of Technology（以色列理工学院）；Goethe Universität Frankfurt（法兰克福歌德大学）
The newly discovered superconductor La(O,F)FeAs (Tc = 26 K) was investigated using the neutron scattering technique. No spin-density-wave (SDW) order was observed in the normal state nor in the superconducting state, both with and without an applied magnetic field of 9 T, consistent with the proposal that SDW and superconductivity are competing in the laminar materials. While our inelastic measurements offer no constraints on the spin dynamic response from d-wave pairing, an upper limit for the magnetic resonance peak predicted from an extended s-wave pairing mechanism is provided. Our measure…
Resistivity, specific heat and magnetic susceptibility measurements performed on SrFe2As2 samples evidence a behavior very similar to that observed in LaFeAsO and BaFe2As2 with the difference that the formation of the SDW and the lattice deformation occur in a pronounced first order transition at T_0=205K. Comparing further data evidences that the Fe-magnetism is stronger in SrFe2As2 and in EuFe2As2 than in the other layered FeAs systems investigated up to now. Full potential LDA band structure calculations confirm the large similarity between the compounds, especially for the relevant low ene…
We report observation of strong magnetic proximity coupling in a heterostructured superconductor Sr$_2$VO$_3$FeAs, determined by the upper critical fields $H_{c2}(T)$ measurements up to 65 T. Using the resistivity and the radio-frequency measurements for both $H \parallel ab$ and $H \parallel c$, we found a strong upward curvature of $H_{c2}^c(T)$, together with a steep increase of $H_{c2}^{ab}(T)$ near $T_c$, yielding the anisotropic factor $γ_H=H_{c2}^{ab}/H_{c2}^c$ up to $\sim$ 20, the largest value among iron-based superconductors. These are attributed to the Jaccarino-Peter effect, rather…
Ultra-thin FeAs is of interest both as the active component in the newly identified pnictide superconductors, and in spintronic applications at the interface between ferromagnetic Fe and semiconducting GaAs. Here we use first-principles density functional theory to investigate the properties of FeAs/GaAs heterostructures. We find that the Fermi surface is modified from that characteristic of the pnictide superconductors by interactions between the FeAs layer and the As atoms in the GaAs layers. Regardless of the number of FeAs layers, the Fe to As ratio, or the strain state, the lowest energy …
We report on the coexistence of magnetic and superconducting states in CeFeAsO1-xFx for x=0.06(2), characterized by transition temperatures T_m=30 K and T_c=18 K, respectively. Zero and transverse field muon-spin relaxation measurements show that below 10 K the two phases coexist within a nanoscopic scale over a large volume fraction. This result clarifies the nature of the magnetic-to-superconducting transition in the CeFeAsO1-xFx phase diagram, by ruling out the presence of a quantum critical point which was suggested by earlier studies.
The 3D phase diagram of iron pnictides where the critical temperature depends on charge density and microstrain in the active FeAs layers is proposed. The iron pnictides superconductors are shown to be a practical realization of a heterostructure at the atomic limit made of a superlattice of FeAs layers intercalated by spacer layers. We have focussed our interest on the A 1-x BxFe2As2 (122) families and we show that FeAs layers have a tensile microstrain due to the misfit strain between the active layers and the spacers. We have identified the critical range of doping and microstrain where the…
The mechanism of superconductivity in pnictides is discussed through direct doping in superconducting FeAs and also in charge reservoir REO layers. The un-doped SmFeAsO is charge neutral SDW (Spin Density Wave) compound with magnetic ordering below 150 K. The Superconducting FeAs layers are doped with Co and Ni at Fe site, whereas REO layers are doped with F at O site. The electron doping in SmFeAsO through Co results in superconductivity with transition temperature (Tc) maximum up to 15 K, whereas F doping results in Tc upto 47 K in SmFeAsO. All these REFe/Co/NiAsO/F compounds are iso-structu…
We synthesized the samples $Ba_{1-x}M_xFe_2As_2$ (M=La and K) with $ThCr_2Si_2$-type structure. These samples were systematically characterized by resistivity, thermoelectic power (TEP) and Hall coefficient ($R_H$). $BaFe_2As_2$ shows an anomaly in resistivity at about 140 K. Substitution of La for Ba leads to a shift of the anomaly to low temperature, but no superconducting transition is observed. Potassium doping leads to suppression of the anomaly in resistivity and induces superconductivity at 38 K as reported by Rotter et al.\cite{rotter}. The Hall coefficient and TEP measurements indicat…
A new compound with the FeAs-layers, namely (Sr_3Sc_2O_5)Fe_2As_2 (abbreviated as FeAs-32522), was successfully fabricated. It has a layered structure with the space group of I4/mmm, and with the lattice constants a = 4.069 $Å$ and c = 26.876 $Å$. The in-plane Fe ions construct a square lattice which is close to that of other FeAs-based superconductors, such as REFeAsO (RE = rare earth elements) and (Ba,Sr)Fe_2As_2. However the inter FeAs-layer spacing in the new compound is greatly enlarged. The temperature dependence of resistivity exhibits a weak upturn in the low temperature region, but a …
In addition to higher Tc compared with the ubiquitous cuprates for a material composed of a single electronically active layer, the newly discovered LnFeAsO superconductors offer additional compositional variation. In a similar fashion to the CuO2 layers in cuprates, the FeAs layers now dominate the electronic states that produce superconductivity. Cuprate superconductors distinguish themselves structurally by adopting different stacking of the Cu-O and electronically inactive "spacer" layers. Using the same structural philosophy, materials with the formula (A,K)Fe2As2,A=Ba or Sr have been rep…
Competing unconventional superconductivity and antiferromagnetism widely exist in several strongly correlated quantum materials whose direct simulation generally suffers from fermion sign problem. Here we report unbiased Quantum Monte Carlo (QMC) simulations on a sign-problem-free repulsive toy model with same onsite symmetries as the standard Hubbard model on a 2D square lattice. Using QMC, supplemented with mean-field and continuum field-theory arguments, we find that it hosts three distinct phases: a nodal d-wave phase, an antiferromagnet, and an intervening phase which hosts coexisting ant…
High resolution synchrotron X-ray powder diffraction (SXRPD) was used to study the temperature dependence of the oxygen deficient NdFeAsO$_{0.85}$ superconducting compound. By employing a dense temperature sampling we have managed to reveal unnoticed structural modifications that start around $\sim$180K, and disappear at the transition temperature. The data show minor changes of the structural characteristics in the Nd-O charge reservoir layer while in the superconducting Fe-As layer the FeAs$_{4}$ tetrahedron shows gradual modifications below $\sim$180K, which suddenly disappear at T$_{\rm c}…
Angle-resolved photoemission spectroscopy of Ca10(Ir4As8)(Fe2_xIrxAs2)5 shows that the Fe 3d electrons in the FeAs layer form the hole-like Fermi pocket at the zone center and the electron-like Fermi pockets at the zone corners as commonly seen in various Fe-based superconductors. The FeAs layer is heavily electron doped and has relatively good two dimensionality. On the other hand, the Ir 5d electrons are metallic and glassy probably due to atomic disorder related to the Ir 5d orbital instability. Ca10(Ir4As8)(Fe2_xIrxAs2)5 exhibits a unique electronic state where the Bloch electrons in the F…
Using state-of-the-art first-principles calculations we study the magnetic behaviour of CeOFeAs. We find the Ce layer moments oriented perpendicular to those of the Fe layers. An analysis of incommensurate magnetic structures reveals that the Ce-Ce magnetic coupling is rather weak with, however, a strong Fe-Ce coupling. Comparison of the origin of the tetragonal to orthorhombic structural distortion in CeOFeAs and LaOFeAs show marked differences; in CeOFeAs the distortion is stabilized by a lowering of spectral weight at the Fermi level, while in LaOFeAs by a reduction in magnetic frustration.…
The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field theory calculations. The electronic states near the Fermi level are dominated by both the Fe 3d and Ti 3d orbitals, indicating that the spacing layers separating different FeAs layers are also metallic. By counting the enclosed volumes of the Fermi surface sheets, we observe a large self-doping effect, i.e. 0.25 electrons per unit cell are transferred from the…
We have synthesized a quaternary fluoroarsenide SrFeAsF with the ZrCuSiAs-type structure (P4/nmm, a = 0.3999 and c = 0.8973 nm), which is composed of an alternately stacked (FeAs)- and (SrF)+ layers, analogous to the FeAs-based superconductor LaFeAsO. SrFeAsF shows metallic type conduction with the anomaly at ~180 K. The partial replacement of the Fe with Co suppresses the anomaly and induces the superconductivity, while the maximal Tc (4 K for SrFe0.875Co0.125AsF) is much lower than that of the Co-substituted LaFeAsO. Replacement of (LaO)+ layers with (SrF)+ layers results in a enlargement of…
We discuss the proximate phases of a three-dimensional system with Dirac-like dispersion. Using the cubic lattice with plaquette $π$-flux as a model, we find, among others phases, a chiral topological insulator and singlet topological superconductor. While the former requires a special "chiral" symmetry, the latter is stable as long as time reversal and SU(2) spin rotation symmetry are present. These phases are characterized by stable surface Dirac fermion modes, and by an integer topological invariant in the bulk. The key features of these phases are readily understood in a two dimensional li…
By means of first-principles FLAPW-GGA calculations, we have investigated the electronic properties of the newly synthesized layered phase - (Sr3Sc2O5)Fe2As2. The electronic bands, density of states and Fermi surface have been evaluated. The resembling of our data for (Sr3Sc2O5)Fe2As2 with band structure pictures of known FeAs superconducting materials may be considered as the theoretical background specifying the possibility for (Sr3Sc2O5)Fe2As2 to become a parent phase for new FeAs superconductors.
