Search

Weyl semimetals host topologically protected surface states, the so-called Fermi arcs, that have a penetration depth into the bulk that depends on surface-momentum, and diverges at the Weyl points. It has recently been observed in PtBi2 that such Fermi arc states can become superconducting, with a critical temperature larger than that of the bulk. Here we introduce a general variational method that captures the interplay between surface and bulk superconductivity, for any bulk Hamiltonian that harbors (topological) surface states with varying penetration depth. From the self-consistent solutions we establish that the surface state localization length of Weyl semimetals leads to characteristic features in the surface superconductivity, with a gap depending on surface momentum and a penetration length for the order parameter that is temperature-dependent due to competition with the bulk superconductivity., Comment: 10 pages, 6 figures

Materials combining topologically non-trivial behavior and superconductivity offer a potential route for quantum computation. However, the set of available materials intrinsically realizing these properties are scarce. Recently, surface superconductivity has been reported in PtBi$_2$ in its trigonal phase and an inherent Weyl semimetal phase has been predicted. Here, based on scanning tunneling microscopy experiments, we reveal the signature of topological Fermi arcs in the normal state patterns of the quasiparticle interference. We show that the scattering between Fermi arcs dominates the interference spectra, providing conclusive evidence for the relevance of Weyl fermiology for the surface electronic properties of trigonal PtBi$_2$.

Trigonal PtBi$_2$ is a layered semimetal without inversion symmetry, featuring 12 Weyl points in the vicinity of the Fermi energy. Its topological Fermi arcs were recently shown to superconduct at low temperatures where bulk superconductivity is absent. Here, we perform first-principles calculations to investigate in detail the bulk and surface electronic structure of PtBi$_2$, and obtain the spin texture as well as the momentum-dependent localization of the arcs. Motivated by the experimentally observed recovery of inversion symmetry under pressure or upon doping, we interpolate between the two structures and determine the energy and momentum dependence of the Weyl nodes. For deeper insights into the surface superconductivity of PtBi$_2$, we construct a symmetry-adapted effective four-band model that accurately reproduces the Weyl points of PtBi$_2$. We supplement this model with an analysis of the symmetry-allowed pairings between the Fermi arcs, which naturally mix spin-singlet and spin-triplet channels. Moreover, the presence of surface-only superconductivity facilitates an intrinsic superconductor-semimetal-superconductor Josephson junction, with the semimetallic phase sandwiched between the two superconducting surfaces. For a phase difference of $\pi$, zero-energy Andreev bound states develop between the two terminations., Comment: 14 pages, 13 figures

Weyl semimetals have nodes in their electronic structure at which electrons attain a definite chirality. Due to the chiral anomaly, the non-conservation of charges with given chirality, the axion term appears in their effective electromagnetic action. We determine how this affects the properties of time-reversal invariant Weyl {\it superconductors} (SCs) in the London regime. For type II SCs the axion coupling generates magnetic $B$-fields transverse to vortices, which become unstable at a critical coupling so that a transition into type I SC ensues. In this regime an applied $B$-field not only decays inside the SC within the London penetration depth, but the axion coupling generates an additional perpendicular field. Consequently, when penetrating into the bulk the $B$-field starts to steadily rotate away from the applied field. At a critical coupling the screening of the magnetic field breaks down. The novel chiral superconducting state that emerges has a periodically divergent susceptibility that separates onsets of chiral Meissner regimes. The chiral anomaly thus leaves very crisp experimental signatures in structurally chiral Weyl SCs with an axion response., Comment: v2: published version; 9 pages, 2 figures; revised version with improved explanations and three new appendices; references added

An essential ingredient for the production of Majorana fermions that can be used for quantum computing is the presence of topological superconductivity. As bulk topological superconductors remain elusive, the most promising approaches exploit proximity-induced superconductivity making systems fragile and difficult to realize. Weyl semimetals due to their intrinsic topology belong to potential candidates too, but search for Majorana fermions has always been connected with the superconductivity in the bulk, leaving the possibility of intrinsic superconductivity of the Fermi surface arcs themselves practically without attention, even from the theory side.Here, by means of angle-resolved photoemission spectroscopy and ab-initio calculations, we unambiguously identify topological Fermi arcs on two opposing surfaces of the non-centrosymmetric Weyl material PtBi2. We show that these states become superconducting at different temperatures around 10K. Remarkably, the corresponding coherencepeaks appear as the strongest and sharpest excitations ever detected by photoemission from solids, suggesting significant technological relevance. Our findings indicate that topological superconductivity in PtBi2 occurs exclusively at the surface, which not only makes it an ideal platform to host Majorana fermions, but may also lead to a unique quantum phase - an intrinsic topological SNS Josephson junction., Comment: 8 pages, 4 figures and Supplementary Information

Flux-tunable qubits are a useful resource for superconducting quantum processors. They can be used to perform cPhase gates, facilitate fast reset protocols, avoid qubit-frequency collisions in large processors, and enable certain fast readout schemes. However, flux-tunable qubits suffer from a trade-off between their tunability range and sensitivity to flux noise. Optimizing this trade-off is particularly important for enabling fast, high-fidelity, all-microwave cross-resonance gates in large, high-coherence processors. This is mainly because cross-resonance gates set stringent conditions on the frequency landscape of neighboring qubits, which are difficult to satisfy with non-tunable transmons due to their relatively large fabrication imprecision. To solve this problem, we realize a coherent, flux-tunable, transmon-like qubit, which exhibits a frequency tunability range as small as 43 MHz, and whose frequency, anharmonicity and tunability range are set by a few experimentally achievable design parameters. Such a weakly tunable qubit is useful for avoiding frequency collisions in a large lattice while limiting its susceptibility to flux noise.

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 diagrammatic framework, we discovered that the charge correlations significantly soften several branches of phonons. These results elucidate the role of charge order in the LSCO compound, providing evidence for quantum critical scaling and discommensurations associated with charge order., Comment: 9 pages, 4 figures

Symmetry breaking in topological matter has become in recent years a key concept in condensed matter physics to unveil novel electronic states. In this work, we predict that broken inversion symmetry and strong spin-orbit coupling in trigonal PtBi$_2$ lead to a type-I Weyl semimetal band structure. Transport measurements show an unusually robust low dimensional superconductivity in thin exfoliated flakes up to 126 nm in thickness (with $T_c \sim 275-400$~mK), which constitutes the first report and study of unambiguous superconductivity in a type-I Weyl semimetal. Remarkably, a Berezinskii-Kosterlitz-Thouless transition with $T_\text{BKT} \sim 310$~mK is revealed in up to 60 nm thick flakes, which is nearly an order of magnitude thicker than the rare examples of two-dimensional superconductors exhibiting such a transition. This makes PtBi$_2$ an ideal platform to study low dimensional and unconventional superconductivity in topological semimetals., Comment: to be published in Nano Letters

The large antiferromagnetic exchange coupling in the parent high-$T_{\rm c}$ cuprate superconductors is believed to play a crucial role in pairing the superconducting carriers. The recent observation of superconductivity in hole-doped infinite-layer (IL-) NdNiO$_2$ brings to the fore the relevance of magnetic coupling in high-$T_{\rm c}$ superconductors, particularly because no magnetic ordering is observed in the undoped IL-NdNiO$_2$ unlike in parent copper oxides. Here, we investigate the electronic structure and the nature of magnetic exchange in IL-NdNiO$_2$ using state-of-the-art many-body quantum chemistry methods. From a systematic comparison of the electronic and magnetic properties with isostructural cuprate IL-CaCuO$_2$, we find that the on-site dynamical correlations are significantly stronger in IL-NdNiO$_2$ compared to the cuprate analog. These dynamical correlations play a critical role in the magnetic exchange resulting in an unexpectedly large antiferromagnetic nearest neighbor isotropic $J$ of 77 meV between the Ni$^{1+}$ ions within the $ab$-plane. While we find many similarities in the electronic structure between the nickelate and the cuprate, the role of electronic correlations is profoundly different in the two. We further discuss the implications of our findings in understanding the origin of superconductivity in nickelates., Comment: 7 pages including references. For Supplemental Material, please see the publisher website

As superconducting quantum circuits scale to larger sizes, the problem of frequency crowding proves a formidable task. Here we present a solution for this problem in fixed-frequency qubit architectures. By systematically adjusting qubit frequencies post-fabrication, we show a nearly ten-fold improvement in the precision of setting qubit frequencies. To assess scalability, we identify the types of 'frequency collisions' that will impair a transmon qubit and cross-resonance gate architecture. Using statistical modeling, we compute the probability of evading all such conditions, as a function of qubit frequency precision. We find that without post-fabrication tuning, the probability of finding a workable lattice quickly approaches 0. However with the demonstrated precisions it is possible to find collision-free lattices with favorable yield. These techniques and models are currently employed in available quantum systems and will be indispensable as systems continue to scale to larger sizes., Comment: 9 pages, 6 figures, Supplementary Information. Update to correct typo in author name and in text. Updated acknowledgements and corrected typo in acknowledgements

Nonreciprocal microwave devices, such as circulators and isolators, are needed in high-fidelity qubit readout schemes to unidirectionally route the readout signals and protect the qubits against noise coming from the output chain. However, cryogenic circulators and isolators are prohibitive in scalable superconducting architectures because they rely on magnetic materials. Here, we perform a fast (750 ns) high-fidelity (95%) quantum nondemolition readout of a coherent superconducting qubit ($T_{1}=52$ $\mu s$, $T_{\rm{2E}}=35$ $\mu s$) without any nonreciprocal magnetic devices. We employ in our readout chain a microwave-controlled qubit-Readout Multi-Chip Module (qRMCM) that integrates interferometric directional Josephson devices consisting of an isolator and a reconfigurable isolator/amplifier device and an off-chip low-pass filter. Using the qRMCM, we demonstrate isolation up to 45 dB within 13 MHz, when both directional devices are operated as isolators, and low-noise amplification in excess of 10 dB within a dynamical bandwidth of $10$ MHz, when the reconfigurable device is operated as an amplifier. We also demonstrate using the variable isolation of the qRMCM an in-situ enhancement of the qubit coherence times $T_{\rm{\varphi}}$ and $T_{\rm{2E}}$ by two orders of magnitude (i.e., from $T_{\rm{\varphi}}=T_{\rm{2E}}=0.5$ $\mu s$ to $T_{\rm{\varphi}}=90$ $\mu s$ and $T_{\rm{2E}}=50$ $\mu s$). Furthermore, by directly comparing the qRMCM performance to a state-of-art configuration (with $T_{\rm{2E}}\approx 2T_{1}$) that employs a pair of wideband magnetic isolators, we find that the excess pure dephasing measured with the qRMCM (for which $T_{\rm{2E}}\approx T_{1}$) is likely limited by residual thermal photon population in the readout resonator. Improved versions of the qRMCM could replace magnetic circulators and isolators in large superconducting quantum processors., Comment: Revised and enhanced manuscript that includes new experimental results

Mitigating crosstalk errors, whether classical or quantum mechanical, is critically important for achieving high-fidelity entangling gates in multi-qubit circuits. For weakly anharmonic superconducting qubits, unwanted $ZZ$ interactions can be suppressed by combining qubits with opposite anharmonicity. We present experimental measurements and theoretical modeling of two-qubit gate error for gates based on the cross resonance interaction between a capacitively shunted flux qubit and a transmon and demonstrate the elimination of the $ZZ$ interaction., Comment: 5+16 pages, 5+13 figures, corrected typos, hyperlinking fixed, modified sections in supplement

The coupling between lattice vibration quanta and valence electrons can induce charge density modulations and decisively influence the transport properties of materials, e.g. leading to conventional superconductivity. In high critical temperature superconductors, where electronic correlation is the main actor, the actual role of electron-phonon coupling (EPC) is being intensely debated theoretically and investigated experimentally. We present an in-depth study of how the EPC strength can be obtained directly from resonant inelastic x-ray scattering (RIXS) data through the theoretical approach derived by Ament et al. [EPL 95, 27008 (2011)]. The role of the model parameters (e.g. phonon energy $\omega_0$, intermediate state lifetime $1/\Gamma$, EPC matrix element $M$, and detuning energy $\Omega$) is thoroughly analyzed, providing general relations among them that can be used to make quantitative estimates of the dimensionless EPC $g = (M/\omega_0)^2$ without detailed microscopic modeling. We then apply these methods to very high resolution Cu $L_3$ edge RIXS spectra of three Nd$_{1+x}$Ba$_{2-x}$Cu$_3$O$_{7-\delta}$ films. For the insulating antiferromagnetic parent compound the value of $M$ as a function of the in-plane momentum transfer is obtained for Cu-O bond-stretching (breathing) and bond-bending (buckling) phonon branches. For the underdoped and the nearly optimally doped samples, the effects of Coulomb screening and of charge-density-wave correlations on $M$ are assessed. In light of the anticipated further improvements of the RIXS experimental resolution, this work provides a solid framework for an exhaustive investigation of the EPC in cuprates and other quantum materials., Comment: 21 pages, 16 figures

We provide a novel experimental method to quantitatively estimate the electron-phonon coupling and its momentum dependence from resonant inelastic x-ray scattering (RIXS) spectra based on the detuning of the incident photon energy away from an absorption resonance. We apply it to the cuprate parent compound NdBa$_2$Cu$_3$O$_6$ and find that the electronic coupling to the oxygen half-breathing phonon mode is strongest at the Brillouin zone boundary, where it amounts to $\sim 0.17$ eV, in agreement with previous studies. In principle, this method is applicable to any absorption resonance suitable for RIXS measurements and will help to define the contribution of lattice vibrations to the peculiar properties of quantum materials., Comment: 6 pages, 3 figures

Nonreciprocal microwave devices play several critical roles in high-fidelity, quantum-nondemolition (QND) measurement schemes. They separate input from output, impose unidirectional routing of readout signals, and protect the quantum systems from unwanted noise originated by the output chain. However, state-of-the-art, cryogenic circulators and isolators are disadvantageous in scalable superconducting quantum processors because they use magnetic materials and strong magnetic fields. Here, we realize an active isolator formed by coupling two nondegenerate Josephson mixers in an interferometric scheme. Nonreciprocity is generated by applying a phase gradient between the same-frequency pumps feeding the Josephson mixers, which play the role of the magnetic field in a Faraday medium. To demonstrate the applicability of this Josephson-based isolator for quantum measurements, we incorporate it into the output line of a superconducting qubit, coupled to a fast resonator and a Purcell filter. We also utilize a wideband, superconducting directional coupler for coupling the readout signals into and out of the qubit-resonator system and a quantum-limited Josephson amplifier for boosting the readout fidelity. By using this novel quantum setup, we demonstrate fast, high-fidelity, QND measurements of the qubit while providing more than 20 dB of protection against amplified noise reflected off the Josephson amplifier.

Recently two fundamental topological properties of a magnetic vortex at the interface of a superconductor (SC) and a strong topological insulator (TI) have been established: the vortex carries both a Majorana zero-mode relevant for topological quantum computation and, for a time-reversal invariant TI, a charge of $e/4$. This fractional charge is caused by the axion term in the electromagnetic Lagrangian of the TI. Here we determine the angular momentum $J$ of the vortices, which in turn determines their mutual statistics. Solving the axion-London electrodynamic equations including screening in both SC and TI, we find that the elementary quantum of angular momentum of the vortex is $-n^2\hbar/8$, where $n$ is the flux quantum of the vortex line. Exchanging two elementary fluxes thus changes the phase of the wavefunction by $-\pi/4$., Comment: 6 pages, 2 figures. In this version a proposal for an experimental setup for detecting fractional statistics is added, including a schematic figure; references added. Version accepted for publication in PRL

We realize and characterize a quantum-limited, directional Josephson amplifier suitable for qubit readout. The device consists of two nondegenerate, three-wave-mixing amplifiers that are coupled together in an interferometric scheme, embedded in a printed circuit board. Nonreciprocity is generated by applying a phase gradient between the same-frequency pumps feeding the device, which plays the role of the magnetic field in a Faraday medium. Directional amplification and reflection-gain elimination are induced via wave interference between multiple paths in the system. We measure and discuss the main figures of merit of the device and show that the experimental results are in good agreement with theory. An improved version of this directional amplifier is expected to eliminate the need for bulky, off-chip isolation stages that generally separate quantum systems and preamplifiers in high-fidelity, quantum-nondemolition measurement setups.

Within a Ginzburg-Landau formalism we establish analytically the necessary and sufficient conditions to realize a doubly degenerate superconducting ground state with broken time-reversal symmetry (BTRS) in a multi-band superconductor. Using these results we analyze the ground state of a three-band superconductor in the cylindrical geometry in an external magnetic field. We show that depending on the interband coupling constants, a magnetic flux can induce current density jumps in such superconducting geometries that are related to adiabatic or non-adiabatic transitions from BTRS to time-reversal symmetric states and vice versa. This unusual current induced magnetic flux response can in principle be used experimentally to detect superconducting BTRS ground states as well as corresponding metastable excited states., Comment: 7 pages, 7 figures

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to these interacting fermion problems has exponential cost, while Monte Carlo methods are plagued by the fermionic sign problem. These limitations of classical computational methods have made even few-atom molecular structures problems of practical interest for medium-sized quantum computers. Yet, thus far experimental implementations have been restricted to molecules involving only Period I elements. Here, we demonstrate the experimental optimization of up to six-qubit Hamiltonian problems with over a hundred Pauli terms, determining the ground state energy for molecules of increasing size, up to BeH2. This is enabled by a hardware-efficient variational quantum eigensolver with trial states specifically tailored to the available interactions in our quantum processor, combined with a compact encoding of fermionic Hamiltonians and a robust stochastic optimization routine. We further demonstrate the flexibility of our approach by applying the technique to a problem of quantum magnetism. Across all studied problems, we find agreement between experiment and numerical simulations with a noisy model of the device. These results help elucidate the requirements for scaling the method to larger systems, and aim at bridging the gap between problems at the forefront of high-performance computing and their implementation on quantum hardware., Comment: 6 pages, 4 figures in main text. 18 pages, 9 figures in supplementary information

Nonreciprocal microwave devices, such as circulators, are useful in routing quantum signals in quantum networks and protecting quantum systems against noise coming from the detection chain. However, commercial, cryogenic circulators, now in use, are unsuitable for scalable superconducting quantum architectures due to their appreciable size, loss, and inherent magnetic field. We report on the measurement of a key nonreciprocal element, i.e., the gyrator, which can be used to realize a circulator. Unlike state-of-the-art gyrators, which use a magneto-optic effect to induce a phase shift of $\pi$ between transmitted signals in opposite directions, our device uses the phase nonreciprocity of a Josephson-based three-wave-mixing device. By coupling two of these mixers and operating them in noiseless frequency-conversion mode, we show that the device acts as a nonreciprocal phase shifter whose phase shift is controlled by the phase difference of the microwave tones driving the mixers. Such a device could be used to realize a lossless, on-chip, superconducting circulator suitable for quantum-information-processing applications.

Josephson parametric converters (JPCs) are superconducting devices capable of performing nondegenerate, three-wave mixing in the microwave domain without losses. One drawback limiting their use in scalable quantum architectures is the large footprint of the auxiliary circuit needed for their operation, in particular, the use of off-chip, bulky, broadband hybrids and magnetic coils. Here, we realize a JPC which eliminates the need for these bulky components. The pump drive and flux bias are applied in the new device through an on-chip, lossless, three-port power divider and on-chip flux line, respectively. We show that the new design considerably simplifies the circuit and reduces the footprint of the device while maintaining a comparable performance to state-of-the-art JPCs. Furthermore, we exploit the tunable bandwidth property of the JPC and the added capability of applying alternating currents to the flux line in order to switch the resonance frequencies of the device, hence demonstrating time-multiplexed amplification of microwave tones that are separated by more than the dynamical bandwidth of the amplifier. Such a measurement technique can potentially serve to perform time-multiplexed, high-fidelity readout of superconducting qubits.

The competition among superconductivity, stripe-type magnetic order, and a new type of $C_4$ symmetric magnetic order in $\mathrm{Ba_{1-x}K_xFe_2As_2}$ is theoretically studied, focusing on its impact on the global phase diagram. By carrying out a renormalization group analysis of an effective field theory, we obtain the energy-scale dependent flows of all the model parameters, and then apply the results to understand the observed phase diagram. On the basis of the renormalization group analysis, we show that the critical line of nematic order has a negative slope in the superconducting dome and superconductivity is suppressed near the magnetic quantum critical point, which are both consistent with recent experiments. Moreover, we find that, although the observed $C_4$ symmetric magnetic state could be a charge-spin density wave or a spin-vortex crystal at high temperatures, charge-spin density wave is the only stable $C_4$ magnetic state in the low-temperature regime. Therefore, ordering competition provides a method to distinguish these two candidate $C_4$ magnetic states., Comment: 8 pages, 5 figures

We reveal the existence of a new type of topological Josephson effect involving type II superconductors and three-dimensional topological insulators as tunnel junctions. We predict that vortex lines induce a variant of the Witten effect that is the consequence of the axion electromagnetic response of the topological insulator: at the interface of the junction each flux quantum attains a fractional electrical charge of e/4. As a consequence, if an external magnetic field is applied perpendicular to the junction, the Witten effect induces an AC Josephson effect in absence of any external voltage. We derive a number of further experimental consequences and propose potential setups where these {quantized, flux induced, Witten} effects may be observed., Comment: 5 pages, 1 figure. Published version (PRL editor's suggestion)

We investigate the interplay between the magnetic and the superconducting degrees of freedom in unconventional multi-band superconductors such as iron pnictides. For this purpose a dynamical mode-mode coupling theory is developed based on the coupled Bethe-Salpeter equations. In order to investigate the region of the phase diagram not too far from the tetracritical point where the magnetic spin density wave, (SDW) and superconducting (SC) transition temperatures coincide, we also construct a Ginzburg - Landau functional including both SC and SDW fluctuations in a critical region above the transition temperatures. The fluctuation corrections tend to suppress the magnetic transition, but in the superconducting channel the intraband and interband contribution of the fluctuations nearly compensate each other., Comment: 17 pages, 5 figures

We consider a compact abelian Higgs model in 3+1 dimensions with a topological axion term and construct its dual theories for both bulk and boundary at strong coupling. The model may be viewed as describing a superconductor with magnetic monopoles, which can also be interpreted as a field theory of a topological Mott insulator. We show that this model is dual to a non-compact topological field theory of particles and vortices. It has exactly the same form of a model for superconducting cosmic strings with an axion term. We consider the duality of the boundary field theory at strong coupling and show that in this case $\theta$ is quantized as $-8\pi n/m$ where $n$ and $m$ are the quantum numbers associated to electric and magnetic charges. These topological states lack a non-interacting equivalent., Comment: 9.1 pages, 1 figure; v3: minor changes; references added; published version

The recent study of $^{77}$Se nuclear magnetic resonance (NMR) in a $\beta$-FeSe single crystal proposed that ferro-orbital order breaks the $90^\circ$ $C_4$ rotational symmetry, driving nematic ordering. Here, we report an NMR study of the impact of small strains generated by gluing on nematic state and spin fluctuations. We observe that the local strains strongly affect the nematic transition, considerably enhancing its onset temperature. On the contrary, no effect on low-energy spin fluctuations was found. Furthermore we investigate the interplay of the nematic phase and superconductivity. Our study demonstrates that the twinned nematic domains respond unequivalently to superconductivity, evidencing the twofold $C_2$ symmetry of superconductivity in this material. The obtained results are well understood in terms of the proposed ferro-orbital order., Comment: 6 pages, 3 figures, Published in Physical Review B, Rapid Communication

The $t\!\!-\!\!J$ Hamiltonian is one of the cornerstones in the theoretical study of strongly correlated copper-oxide based materials. Using the density matrix renormalization group method we calculate the phase diagram of the one-dimensional (1D) $t\!\!-\!\!J$ chain in the presence of a periodic hopping modulation, as a prototype of coupled-segment models. While in the uniform 1D $t\!\!-\!\!J$ model near half-filling superconducting (SC) state dominates only at unphysically large values of the exchange coupling constant $J/t>3$, we show that a small hopping and exchange modulation very strongly reduces the critical coupling to be as low as $J/t\sim1/3$ -- well within the physical regime. The phase diagram as a function of the electron filling also exhibits metallic, insulating line phases and regions of phase separation. We suggest that a SC state is easily stabilized if $t\!\!-\!\!J$ segments creating local spin-singlet pairing are coupled to each other -- another example is ladder system., Comment: 4 pages + 4 figures; 5 pages + 6 figures

A very fundamental and unconventional characteristic of superconductivity in iron-based materials is that it occurs in the vicinity of {\it two} other instabilities. Apart from a tendency towards magnetic order, these Fe-based systems have a propensity for nematic ordering: a lowering of the rotational symmetry while time-reversal invariance is preserved. Setting the stage for superconductivity, it is heavily debated whether the nematic symmetry breaking is driven by lattice, orbital or spin degrees of freedom. Here we report a very clear splitting of NMR resonance lines in FeSe at $T_{nem}$ = 91K, far above superconducting $T_c$ of 9.3 K. The splitting occurs for magnetic fields perpendicular to the Fe-planes and has the temperature dependence of a Landau-type order-parameter. Spin-lattice relaxation rates are not affected at $T_{nem}$, which unequivocally establishes orbital degrees of freedom as driving the nematic order. We demonstrate that superconductivity competes with the emerging nematicity., Comment: 4 figures; supplementary material is included; Final version, Nature Materials, advance online publication, 10 Nov 2014

We present a detailed thermal and electrical model of superconducting transition edge sensors (TESs) connected to quasiparticle (qp) traps, such as the W TESs connected to Al qp traps used for CDMS (Cryogenic Dark Matter Search) Ge and Si detectors. We show that this improved model, together with a straightforward time-domain optimal filter, can be used to analyze pulses well into the nonlinear saturation region and reconstruct absorbed energies with optimal energy resolution., Comment: companion paper to J. J. Yen's "Measurement Of Quasiparticle Transport In Aluminum Films Using Tungsten Transition-Edge Sensors"

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 intensity redistribution between charge and spin dynamical structure factors which discriminates between sign-reversing and sign-preserving quasiparticle excitations. Consequently, our results show that RIXS spectra can distinguish between $s_\pm$ and $s_{++}$ wave gap functions in the singlet pairing case. In addition, we find that an analogous intensity redistribution at small momenta can reveal the presence of a chiral $p$-wave triplet pairing., Comment: 12 pages, 5 figures

Bulk TiSe$_2$ is an intrinsically layered transition metal dichalcogenide (TMD) hosting both superconducting and charge density wave (CDW) ordering. Motivated by the recent progress in preparing two-dimensional TMDs, we study these frustrated orderings in {\it single} trilayer of TiSe$_2$ within a renormalization group approach. We establish that a novel state with time-reversal symmetry broken chiral superconductivity can emerge from the strong competition between CDW formation and superconductivity. Its stability depends on the precise strength and screening of the electron-electron interactions in two-dimensional TiSe$_2$., Comment: 4 pages + Supplementary Material

We studied the possibility of exciton condensation in Mott insulating bilayers. In these strongly correlated systems an exciton is the bound state of a double occupied and empty site. In the strong coupling limit the exciton acts as a hard-core boson. Its physics are captured by the exciton t-J model, containing an effective XXZ model describing the exciton dynamics only. Using numerical simulations and analytical mean field theory we constructed the ground state phase diagram. Three homogeneous phases can be distinguished: the antiferromagnet, the exciton checkerboard crystal and the exciton superfluid. For most model parameters, however, we predict macroscopic phase separation between these phases. The exciton superfluid exists only for large exciton hopping energy. Additionally we studied the collective modes and susceptibilities of the three phases. In the superfluid phase we find the striking feature that the bandwidth of the spin-triplet excitations, potentially detectable by resonant inelastic x-ray scattering (RIXS), is proportional to the superfluid density. The superfluid phase mode is visible in the charge susceptibility, measurable by RIXS or electron energy loss spectroscopy (EELS)., Comment: 21 pages, 14 figures

From the measurement and analysis of the specific heat of high-quality K_(1-x)Na_xFe_2As_2 single crystals we establish the presence of large T^2 contributions with coefficients alpha_sc ~ 30 mJ/mol K^3 at low-T for both x=0 and 0.1. Together with the observed square root field behavior of the specific heat in the superconducting state both findings evidence d-wave superconductivity on almost all Fermi surface sheets with an average gap amplitude of Delta_0 in the range of 0.4 - 0.8 meV. The derived Delta_0 and the observed T_c agree well with the values calculated within the Eliashberg theory, adopting a spin-fluctuation mediated pairing in the intermediate coupling regime., Comment: 8 pages, 5 figures, field dependence of the specific heat added, slightly changed title, changed sequence of authors, one author added, accepted by Phys. Rev. B Rapid Communications

Motivated by the premise that superconductivity in iron-based superconductors is unconventional and mediated by spin fluctuations, an intense research effort has been focused on characterizing the spin excitation spectrum in the magnetically ordered parent phases of the Fe-pnictides2,3 and - chalcogenides4. For these undoped materials it is well-established that the spin excitation spectrum consists of a sharp, highly dispersive magnon spanning an energy range of up to 200 meV (ref. 3). The fate of these high-energy magnetic modes upon sizable doping is hitherto unresolved. Using resonant inelastic x-ray scattering we show that optimally doped superconducting Ba0.6K0.4Fe2As2 retains well defined, dispersive high-energy modes of magnetic origin. These paramagnon modes are softer than, though as intense as, the magnon of undoped antiferromagnetic BaFe2As2. The persistence of spin excitations well into the superconducting phase suggests that, if spin fluctuations are responsible for superconducting pairing, they originate from a distinctly correlated spin-state. This connects Fe-pnictide superconductors to the high-Tc cuprates, for which in spite of fundamental differences in the electronic structure, similar paramagnon modes are present5., Comment: 26 pages, 9 figures

Several angle resolved photoemission spectroscopy (ARPES) studies reveal a poorly nested Fermi surface of LiFeAs, far away from a spin density wave instability, and clear-cut superconducting gap anisotropies. On the other hand a very different, more nested Fermi surface and dissimilar gap anisotropies have been obtained from quasiparticle interference (QPI) data, which were interpreted as arising from intraband scattering within hole-like bands. Here we show that this ARPES-QPI paradox is completely resolved by interband scattering between the hole-like bands. The resolution follows from an excellent agreement between experimental quasiparticle scattering data and T-matrix QPI calculations (based on experimental band structure data), which allows disentangling interband and intraband scattering processes.

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. Here we develop the scattering theory for RIXS on superconductors, calculating its momentum-dependent scattering amplitude. Considering superconductors with different pairing symmetries, we show that the low-energy scattering is strongly affected by the superconducting gap and coherence factors. This establishes RIXS as a tool to disentangle pairing symmetries and to probe the elementary excitations of unconventional superconductors., Comment: 8 pages, 6 figures

As-vacancies (V_As) in La-1111-systems, which are nominally non-magnetic defects, are shown to create in their vicinity by symmetry ferromagnetically oriented local magnetic moments due to the strong, covalent bonds with neighboring Fe atoms that they break. From microscopic theory in terms of an appropriately modified Anderson-Wolff model, we find that the moment formation results in a substantially enhanced paramagnetic susceptibility in both the normal and superconducting (SC) state. Despite the V_As act as magnetic scatterers, they do not deteriorate SC properties which can even be improved by V_As by suppressing a competing or coexisting commensurate spin density wave or its remnant fluctuations. Due to the induced local magnetic moments an s_++-scenario in related systems is unlikely., Comment: 7 pages, 4 Figures

High-quality KFe2As2 (K122) single crystals synthesized by different techniques have been studied by magnetization and specific heat (SH) measurements. There are 2 types of samples both affected by disordered magnetic phases: (i) cluster-glass (CG) like or (ii) Griffiths phase (G) like. For (i) at low applied magnetic fields the T-dependence of the zero field cooled (ZFC) linear susceptibility (chi_l) exhibits an anomaly with an irreversible behavior in ZFC and field cooled (FC) data. This anomaly is related to the freezing temperature T_f. The extrapolated T_f to B=0 varies between 50 K and 90 K. Below T_f we observed a magnetic hysteresis in the field dependence of the isothermal magnetization (M(B)). The frequency shift of the freezing temperature delta T_f=Delta T_f/[T_f\Delta(\ln \nu)]\sim 0.05$ has an intermediate value, which provides evidence for the formation of a CG-like state in the K122 samples of type (i). The frequency dependence of their T_f follows a conventional power-law divergence of critical slowing down: tau=tau_0 [T_f(nu)/T_f(0)-1]^{-z\nu^{'}} with the critical exponent z\nu^{'}=10(2) and a relatively long characteristic time constant tau_0 =6.9 x10^{-11}$s also supporting a CG behavior. The large value of the Sommerfeld coefficient was related to magnetic contribution from a CG. Samples from (ii) did not show a hysteresis behavior for chi_l(T) and M(B). Below a crossover temperature T^* sim 40 K a power-law dependence in the chi_l propto T^[lambda_G-1}], with a non-universal lambda_G was observed, suggesting a quantum G-like behavior. In this case chi_l and M(B) can be scaled using the scaling function M_s(T,B)= B^{1-\lambda_{\tiny G}}Y(mu B/k_BT) with the scaling moment mu of the order of 3.5mu_b. The same non-universal exponent was found also in SH measurements, where the magnetic contribution C/T propto T^(lambda_G-1)., Comment: 6 pages, 6 figures

The dynamics of S=1/2 quantum spins on a 2D square lattice lie at the heart of the mystery of the cuprates \cite{Hayden2004,Vignolle2007,Li2010,LeTacon2011,Coldea2001,Headings2010,Braicovich2010}. In bulk cuprates such as \LCO{}, the presence of a weak interlayer coupling stabilizes 3D N\'{e}el order up to high temperatures. In a truly 2D system however, thermal spin fluctuations melt long range order at any finite temperature \cite{Mermin1966}. Further, quantum spin fluctuations transfer magnetic spectral weight out of a well-defined magnon excitation into a magnetic continuum, the nature of which remains controversial \cite{Sandvik2001,Ho2001,Christensen2007,Headings2010}. Here, we measure the spin response of \emph{isolated one-unit-cell thick layers} of \LCO{}. We show that coherent magnons persist even in a single layer of \LCO{} despite the loss of magnetic order, with no evidence for resonating valence bond (RVB)-like spin correlations \cite{Anderson1987,Hsu1990,Christensen2007}. Thus these excitations are well described by linear spin wave theory (LSWT). We also observe a high-energy magnetic continuum in the isotropic magnetic response. This high-energy continuum is not well described by 2 magnon LSWT, or indeed any existing theories., Comment: Revised version to appear in Nature Materials; 6 pages,4 figures

We establish in a combination of ab initio theory and experiments that the tunneling process in scanning tunneling microscopy/spectroscopy on the A-122 iron pnictide superconductors - in this case BaFe$_{2-x}$Co$_x$As$_2$ - involve a strong adatom filtering of the differential conductance from the near-EF Fe3d states, which in turn originates from the top-most sub-surface Fe layer of the crystal. The calculations show that the dominance of surface Ba-related tunneling pathways leaves fingerprints found in the experimental differential conductance data, including large particle-hole asymmetry and an energy-dependent contrast inversion., Comment: 4.5 pages, 4 figures. To appear in Physical Review Letters

As an elementary particle the electron carries spin \hbar/2 and charge e. When binding to the atomic nucleus it also acquires an angular momentum quantum number corresponding to the quantized atomic orbital it occupies (e.g., s, p or d). Even if electrons in solids form bands and delocalize from the nuclei, in Mott insulators they retain their three fundamental quantum numbers: spin, charge and orbital[1]. The hallmark of one-dimensional (1D) physics is a breaking up of the elementary electron into its separate degrees of freedom[2]. The separation of the electron into independent quasi-particles that carry either spin (spinons) or charge (holons) was first observed fifteen years ago[3]. Using Resonant Inelastic X-ray Scattering on the 1D Mott-insulator Sr2CuO3 we now observe also the orbital degree of freedom separating. We resolve an orbiton liberating itself from spinons and propagating through the lattice as a distinct quasi-particle with a substantial dispersion of ~0.2 eV., Comment: 35 pages, 8 figures

We report results of 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) experiments as well as 7Li NMR on different samples of self flux grown LiFeAs and 5 % Co doped LiFeAs single crystals, and a polycrystalline LiFeAs sample. We were able to distinguish the samples by their slightly different quadrupole frequencies, $\nu_Q$, which is a direct measure of the electric field gradient (EFG) at the As site. Interestingly, samples with a large quadrupole frequency appear to show a different Knight shift and spin lattice relaxation in the superconducting state from those with a lower $\nu_Q$, yet all the samples are clearly superconducting. For sample S1 which has the largest $\nu_Q$, we find constant Knight shift K across Tc for a certain direction of the magnetic field and a peculiar upturn of the NQR spin lattice relaxation rate 1/T1 below Tc. In contrast, samples with a lower $\nu_Q$ exhibit the expected behavior for a singlet superconductor: a drop of K and 1/T1 for both NMR and NQR below Tc. Our results show that already tiny changes in stoichiometry uncovered by slightly different NQR frequencies lead to very different behavior of the NMR parameters in the superconducting state of LiFeAs. Different possibilities will be discussed which may explain the contrasting behavior., Comment: 10 pages, 7 figures, published in the European Physical Journal B

A crucial step in revealing the nature of unconventional superconductivity is to investigate the symmetry of the superconducting order parameter. Scanning tunneling spectroscopy has proven a powerful technique to probe this symmetry by measuring the quasiparticle interference (QPI) which sensitively depends on the superconducting pairing mechanism. A particularly well suited material to apply this technique is the stoichiometric superconductor LiFeAs as it features clean, charge neutral cleaved surfaces without surface states and a relatively high Tc~18K. Our data reveal that in LiFeAs the quasiparticle scattering is governed by a van-Hove singularity at the center of the Brillouin zone which is in stark contrast with other pnictide superconductors where nesting is crucial for both scattering and s+- superconductivity. Indeed, within a minimal model and using the most elementary order parameters, calculations of the QPI suggest a dominating role of the hole-like bands for the quasiparticle scattering. Our theoretical findings do not support the elementary singlet pairing symmetries s++, s+-, and d-wave. This brings to mind that the superconducting pairing mechanism in LiFeAs is based on an unusual pairing symmetry such as an elementary p-wave (which provides optimal agreement between the experimental data and QPI simulations) or a more complex order parameter (e.g. s+id-wave symmetry).

We report magnetization measurements of As-deficient LaO_0.9F_0.1FeAs_1-delta (delta about 0.06) samples with improved superconducting properties as compared with As-stoichiometric optimally doped La-1111 samples. In this As-deficient system with almost homogeneously distributed As-vacancies (AV), as suggested by the (75)As-nuclear quadrupole resonance (NQR) measurements,we observe a strong enhancement of the spin-susceptibility by a factor of 3-7. This observation is attributed to the presence of an electronically localized state around each AV, carrying a magnetic moment of about 3.2 mu_Bohr per AV or 0.8 mu_Bohr/Fe atom. From theoretical considerations we find that the formation of a local moment on neighboring iron sites of an AV sets in when the local Coulomb interaction exceeds a critical value of about 1.0 eV in the dilute limit. Its estimated value amounts to ~ 2.5 eV and implies an upper bound of ~ 2 eV for the Coulomb repulsion at Fe sites beyond the first neighbor-shell of an AV. Electronic correlations are thus moderate/weak in doped La-1111. The strongly enhanced spin susceptibility is responsible for the Pauli limiting behavior of the superconductivity that we observe in As-deficient LaO_0.9F_0.1FeAs_1-delta. In contrast, no Pauli limiting behavior is found for the optimally doped, As-stoichiometric LaO_0.9F_0.1FeAs superconductor in accord with its low spin susceptibility., Comment: 11 pages, 9 figures

We assess the capabilities of magnetic Resonant Inelastic X-ray Scattering (RIXS) at the O $K$ edge in undoped cuprates by taking La_{2}CuO_{4} as a benchmark case, based on a series of RIXS measurements that we present here. By combining the experimental results with basic theory we point out the fingerprints of bimagnon in the O $K$ edge RIXS spectra. These are a dominant peak around 450 meV, the almost complete absence of dispersion both with $\pi$ and $\sigma$ polarization and the almost constant intensity vs. the transferred momentum with $\sigma$ polarization. This behavior is quite different from Cu $L_3$ edge RIXS giving a strongly dispersing bimagnon tending to zero at the center of the Brillouin zone. This is clearly shown by RIXS measurements at the Cu $L_3$ edge that we present. The Cu $L_3$ bimagnon spectra and those at Cu $K$ edge - both from the literature and from our data - however, have the same shape. These similarities and differences are understood in terms of different sampling of the bimagnon continuum. This panorama points out the unique possibilities offered by O $K$ RIXS in the study of magnetic excitations in cuprates near the center of the BZ.

Low energy electron diffraction (LEED) experiments, LEED simulations and finite slab density functional calculations are combined to study the cleavage surface of Co doped BaFe_{2-x}Co_{x}As_{2} (x = 0.1, 0.17). We demonstrate that the energy dependence of the LEED data can only be understood from a terminating 1/2 Ba layer accompanied by distortions of the underlying As-Fe_2-As block. As a result, surface related Fe 3d states are present in the electronic structure, which we identify in angle resolved photoemission experiments. The close proximity of the surface-related states to the bulk bands inevitably leads to broadening of the ARPES signals, which excludes the use of the BaFe_{2-x}Co_{x}As_{2} system for accurate determination of self-energies using ARPES., Comment: 4 pages, 5 figures includes supplementary material

Superconducting pnictides are widely found to feature spin-singlet pairing in the vicinity of an antiferromagnetic phase, for which nesting between electron and hole Fermi surfaces is crucial. LiFeAs differs from the other pnictides by (i) poor nesting properties and (ii) unusually shallow hole pockets. Investigating magnetic and pairing instabilities in an electronic model that incorporates these differences, we find antiferromagnetic order to be absent. Instead we observe almost ferromagnetic fluctuations which drive an instability toward spin-triplet p-wave superconductivity., Comment: Published version

We determine the nature of the magnetic quantum critical point in the doped LaFeAsO using a set of constrained density functional calculations that provide ab initio coefficients for a Landau order parameter analysis. The system turns out to be remarkably close to a quantum tricritical point, where the nature of the phase transition changes from first to second order. We compare with the effective field theory and discuss the experimental consequences., Comment: 4 pages, 4 figures

We investigate the cleaving behavior of LiFeAs and determine its surface electronic structure by detailed density functional calculations. We show that due to the neutral surface of LiFeAs after cleaving, barely any influence of the surface on the electronic states is present. Therefore the data of surface sensitive probes such as angle resolved photoemission spectroscopy (ARPES) represent to a high degree the bulk electronic structure. This we highlighted by a direct comparison of the calculations to ARPES spectra.

Using high-resolution resonant inelastic x-ray scattering (RIXS), we performed a momentum-resolved study of magnetic excitations in the model spin-1/2 2D antiferromagnetic insulator Sr_2CuCl_2O_2. We identify both a single-spin-wave feature and a multi-magnon continuum, and show that the X-ray polarization can be used to distinguish these two contributions in the cross-section. The spin-waves display a large (70 meV) dispersion between the zone-boundary points ($\pi$,0) and ($\pi$/2,$\pi$/2). Employing an extended $t$-$t'$-$t"$-$U$ one-band Hubbard model, we find significant electronic hopping beyond nearest-neighbor Cu ions. We conclude that sizeable extended magnetic interactions are present in \scoc{} and probably important in all undoped cuprates., Comment: 4 pages, 4 figures