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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

The discovery of superconductivity in infinite-layer nickelates has ignited stark interest within the scientific community, particularly regarding its likely unconventional origin. Conflicting magnetotransport measurements report either isotropic or anisotropic suppression of superconductivity in an external magnetic field, with distinct implications for the nature of superconducting order. In order to ensure a most suited model subject to subsequent many-body analysis, we develop a first-principles-guided minimal theory including Ni $d_{x^2-y^2}$, La $d_{3z^2-r^2}$, and La $d_{xy}$ orbitals. Amended by the consideration of orbital-selective pairing formation, which emphasises the correlation state of the Ni $3d_{x^2-y^2}$ orbital, we calculate the superconducting ordering susceptibility mediated by spin fluctuations. We find a parametric competition between even-parity $d$-wave and, in contrast to previous studies, odd-parity $p$-wave pairing, which becomes favorable through a large quasiparticle weight renormalization for Ni $3d_{x^2-y^2}$ electrons. Our findings not only shed light on the distinctiveness of LaNiO$_{2}$ as compared to cuprate superconductors or nickelates of different rare-earth composition but also provoke similarities to other pending candidate odd-parity superconductors.

Noncentrosymmetric superconductors can support flat bands of zero-energy surface states in part of their surface Brillouin zone. This requires that they obey time-reversal symmetry and have a sufficiently strong triplet-to-singlet-pairing ratio to exhibit nodal lines in the bulk. These bands are protected by a winding number that relies on chiral symmetry, which is realized as the product of time-reversal and particle-hole symmetry. We reveal a way to stabilize a flat band in the entire surface Brillouin zone, while the bulk dispersion is fully gapped. This idea could lead to a robust platform for quantum computation and represents an alternative route to strongly correlated flat bands in two dimensions, besides twisted bilayer graphene. The necessary ingredient is an additional spin-rotation symmetry that forces the direction of the spin-orbit-coupling vector not to depend on the momentum component normal to the surface. We define a winding number that leads to flat zero-energy surface bands due to bulk-boundary correspondence. We discuss under which conditions this winding number is nonzero in the entire surface Brillouin zone and verify the occurrence of zero-energy surface states by exact numerical diagonalization of the Bogoliubov-de Gennes Hamiltonian for a slab. In addition, we consider how a weak breaking of the additional symmetry affects the surface band, employing first-order perturbation theory and a quasiclassical approximation. We find that the surface states and the bulk gap persist for weak breaking of the additional symmetry but that the band does not remain perfectly flat. The broadening of the band strongly depends on the deviation of the spin-orbit-coupling vector from its unperturbed direction as well as on the spin-orbit-coupling strength and the triplet-pairing amplitude., Comment: 18 pages, 6 figures

Materials that break time-reversal or inversion symmetry possess nondegenerate electronic bands, which can touch at so-called Weyl points. The spinor eigenstates in the vicinity of a Weyl point exhibit a well-defined chirality $\pm 1$. Numerous works have studied the consequences of this chirality, for example in unconventional magnetoelectric transport. However, even a Weyl point with isotropic dispersion is not only characterized by its chirality but also by the momentum dependence of the spinor eigenstates. For a single Weyl point, this momentum-space spin structure can be brought into standard "hedgehog" form by a unitary transformation, but for two or more Weyl points, this is not possible. In this work, we show that the relative spin structure of a pair of Weyl points has strong qualitative signatures in the electromagnetic response. Specifically, we investigate the Friedel oscillations in the induced charge density due to a test charge for a centrosymmetric system consisting of two Weyl points with isotropic dispersion. The most pronounced signature is that the amplitude of the Friedel oscillations falls off as $1/r^4$ in directions in which both Weyl points exhibit the same spin structure, while for directions with inverted spin structures, the amplitude of the Friedel oscillations decreases as $1/r^3$., Comment: 21 pages, 10 figures

We develop a topological classification of non-Hermitian effective Hamiltonians that depend on momentum and frequency. Such effective Hamiltonians are in one-to-one correspondence to single-particle Green's functions of systems that satisfy translational invariance in space and time but may be interacting or open. We employ K-theory, which for the special case of noninteracting systems leads to the well-known tenfold-way topological classification of insulators and fully gapped superconductors. Relevant theorems for K-groups are reformulated and proven in the more transparent language of Hamiltonians instead of vector bundles. We obtain 54 symmetry classes for frequency-dependent non-Hermitian Hamiltonians satisfying anti-unitary symmetries. Employing dimensional reduction, the group structure for all these classes is calculated. This classification leads to a group structure with one component from the momentum dependence, which corresponds to the non-Hermitian generalization of topological insulators and superconductors, and two additional parts resulting from the frequency dependence. These parts describe winding of the effective Hamiltonian in the frequency direction and in combined momentum-frequency space., Comment: 20 pages, 3 figures, 8 tables, major revision, new references and example

It has recently been realized that the gap nodes of multiband superconductors that break time-reversal symmetry generically take the form of Fermi surfaces of Bogoliubov quasiparticles. However, these Fermi surfaces lead to a nonzero density of states (DOS) at the Fermi energy, which typically disfavors such superconducting states. It has thus not been clear whether they can be stable for reasonable pairing interactions or are in practice preempted by time-reversal-symmetric states with vanishing DOS. In this Letter, we show within BCS theory applied to a paradigmatic model that the time-reversal-symmetry-breaking states are indeed stabilized over broad parameter ranges at weak coupling. Moreover, we introduce a fast method that involves solving the inverse BCS gap equation, does not require iteration, does not suffer from convergence problems, and can handle metastable solutions., Comment: 14 pages, 3 figures

We propose helical topological superconductivity away from the Fermi surface in three-dimensional time-reversal-symmetric odd-parity multiband superconductors. In these systems, pairing between electrons originating from different bands is responsible for the corresponding topological phase transition. Consequently, a pair of helical topological Dirac surface states emerges at finite excitation energies. These helical Dirac surface states are tunable in energy by chemical potential and strength of band-splitting. They are protected by time-reversal symmetry combined with crystalline two-fold rotation symmetry. We suggest concrete materials in which this phenomenon could be observed., Comment: 7 + 16 pages, 8 figures, and 3 tables

Surfaces of nodal noncentrosymmetric superconductors can host flat bands of Majorana modes, which provide a promising platform for quantum computation if one can find methods for manipulating localized Majorana wave packets. We study the fate of such flat bands when part of the surface is subjected to an exchange field induced by a ferromagnetic insulator. We use exact diagonalization to find the eigenstates and eigenenergies of the Bogoliubov-de Gennes Hamiltonian of a model system, for which an exchange field is applied along a strip on the surface of a slab. We consider different orientations of the strip and the applied field. If the spin polarization of the field-free system along the field direction is sufficiently large perturbation theory predicts that energies of states which are mostly localized on the exchange-field strip are shifted away from zero energy by an amount proportional to the field strength. On the other hand, energies corresponding to states localized on the field-free strip are only weakly affected by the field. Exact diagonalization confirms this. Moreover, we discuss a setup with a small exchange field applied to the previously field-free strip with the goal of introducing a linear dispersion. By switching this dispersion on and off, a wave packet could be moved in a certain direction. We find that in our model system, a linear dispersion can indeed be achieved. The qualitative features of this dispersion can be predicted from the momentum-dependent spin polarization of the field-free surface., Comment: 14 pages, 8 figures

Symmetry-protected topological semimetals are at the focus of solid-state research due to their unconventional properties, for example, regarding transport. By investigating local two-band Bloch Hamiltonians in the spin-1/2 basis for the 122 magnetic point groups, we classify twofold-degenerate band touchings such as Weyl points, robust nodal lines on axes and in mirror planes, and fragile nodal lines. We find that all magnetic point groups that lack the product of inversion and time-reversal symmetries can give rise to topologically nontrivial band touchings. Hence, such nodes are the rule rather than the exception and, moreover, do not require any complicated multiband physics. Our classification is applicable to every momentum in the Brillouin zone by considering the corresponding little group and provides a powerful tool to identify magnetic and nonmagnetic topological semimetals., Comment: 25 pages, 12 figures

Uniaxial strain experiments have become a powerful tool to unveil the character of unconventional phases of electronic matter. Here we propose a combination of the superconducting fitness analysis and density functional theory (DFT) calculations in order to dissect the effects of strain in complex multi-orbital quantum materials from a microscopic perspective. We apply this framework to the superconducting state of Sr$_2$RuO$_4$, and argue that the recently proposed orbitally anti-symmetric spin-triplet (OAST) order parameter candidate has unique signatures under strain which are in agreement with recent observations. In particular, we can account for the asymmetric splitting of the critical temperatures for compressive strain along the $\langle 100\rangle$ direction, and the reduction of the critical temperatures for compressive strain along the $\langle 001\rangle$ and $\langle 110\rangle$ directions with a single free parameter., Comment: 8 pages, 2 figures

We examine the appearance of superconductivity in the strong-coupling limit of the Hubbard model on the pyrochlore lattice. We focus upon the limit of half filling, where the normal-state band structure realizes a $j=3/2$ semimetal. Introducing doping, we show that the pairing is favored in a $J=2$ quintet $E_g$ state. The attractive interaction in this channel relies on the fact that $E_g$ pairing on the pyrochlore lattice avoids the detrimental on-site repulsion. Our calculations show that a time-reversal symmetry-breaking superconducting phase is favored, which displays Bogoliubov Fermi surfaces., Comment: 16 pages, 4 figures

The rise of organic electronics calls for versatile modeling tools. In this context, we develop a semiclassical Boltzmann theory that describes transport and excitonic processes in crystalline organic semiconductors on equal footing. The generation of singlet and triplet excitons out of the ground state, their formation from free electrons and holes, the reverse processes, as well as the fusion and fission of excitons are included. The corresponding scattering integrals respect spin conservation, which requires matrix-valued distribution functions. They also include fermionic and bosonic many-particle effects such as Pauli blocking. We employ a multipole expansion of the distribution functions, where quadrupolar terms turn out to be essential for the triplet excitons. This work provides a basis for the modeling of organic solar cells, in which excitonic processes are crucial for the performance. Moreover, the theory is of general interest for transport and transitions of multiple (quasi-) particle species carrying spin in nonequilibrium systems., Comment: 23+ pages, 4 figures, illustrative examples added

Multiband effects can lead to fundamentally different electronic behavior of solids, as exemplified by the possible emergence of Fermi surfaces of Bogoliubov quasiparticles in centrosymmetric superconductors which break time-reversal symmetry. We extend the analysis of possible pairing symmetries, the corresponding nodal structure, and the Bogoliubov Fermi surfaces in two directions: We include nonlocal pairing and we consider internal degrees of freedom other than the effective angular momentum of length $j=3/2$ examined so far. Since our main focus is on the Bogoliubov Fermi surfaces we concentrate on even-parity pairing. The required symmetry analysis is illustrated for several examples, as a guide for the reader. We find that the inclusion of nonlocal pairing leads to a much larger range of possible pairing symmetries. For infinitesimal pairing strength, we find a simple yet powerful criterion for nodes in terms of a scalar product of form factors., Comment: 30+ pages, 1 figure

The mechanism behind the nematicity of FeSe is not known. Through elastoresitivity measurements it has been shown to be an electronic instability. However, so far measurements have extended only to small strains, where the response is linear. Here, we apply large elastic strains to FeSe, and perform two types of measurements. (1) Using applied strain to control twinning, the nematic resistive anisotropy at temperatures below the nematic transition temperature Ts is determined. (2) Resistive anisotropy is measured as nematicity is induced through applied strain at fixed temperature above Ts. In both cases, as nematicity strengthens the resistive anisotropy peaks about about 7%, then decreases. Below ~40 K, the nematic resistive anisotropy changes sign. We discuss possible implications of this behaviour for theories of nematicity. We report in addition: (1) Under experimentally accessible conditions with bulk crystals, stress, rather than strain, is the conjugate field to the nematicity of FeSe. (2) At low temperatures the twin boundary resistance is ~10% of the sample resistance, and must be properly subtracted to extract intrinsic resistivities. (3) Biaxial inplane compression increases both in-plane resistivity and the superconducting critical temperature Tc, consistent with a strong role of the yz orbital in the electronic correlations., Comment: 18 pages, 13 figures. To be published in Phys. Rev. X

Centrosymmetric multiband superconductors which break time-reversal symmetry generically have two-dimensional nodes, i.e., Fermi surfaces of Bogoliubov quasiparticles. We show that the coupling of the electrons to the lattice always leads to a weak-coupling instability of such a state towards spontaneous breaking of inversion symmetry at low temperatures. This instability is driven by a Cooper logarithm in the internal energy but the order parameter is not superconducting but distortional. We present a comprehensive symmetry analysis and introduce a measure that allows to compare the strengths of competing distortional instabilities. Moreover, we discuss the instability using an effective single-band model. This framework reveals a duality mapping of the effective model which maps the distortional order parameter onto a superconducting one, providing a natural explanation for the Cooper logarithm and the weak-coupling nature of the instability. Finally, we consider the possibility of a pair-density wave state when inversion symmetry is broken. We find that it can indeed exist but does not affect the instability itself., Comment: 16+ pages, 4 figures

The coupling between electronic and lattice degrees of freedom lies at the core of many important properties of solids. Nevertheless, surprisingly little is know about the entanglement between these degrees of freedom. We here calculate the entanglement entropy at zero temperature as well as the mutual information and the entanglement negativity at finite temperatures between the electrons and the lattice of a one-dimensional chain. The electrons are described within Luttinger-liquid theory. Our results show that the entanglement entropy diverges when one approaches the limit of stability, the so-called Wentzel-Bardeen singularity. We have found that the mutual information and the entanglement negativity decrease with the temperature. The mutual information reaches a finite value in the infinite-temperature limit, which is the consequence of the infinite linear electron spectrum of Luttinger theory. The entanglement negativity becomes exactly zero above a certain temperature, i.e., the lattice and the electrons become non-entangled above this temperature. If the electron-electron interaction is unscreened or weakly screened, this characteristic temperature diverges with the system size. However, if the interaction is strongly screened the characteristic temperature is finite and independent of the system size., Comment: 11 pages, 4 figures

Weyl semimetals exhibit exotic Fermi-arc surface states, which strongly affect their electromagnetic properties. We derive analytical expressions for all components of the composite density-spin response tensor for the surfaces states of a Weyl-semimetal model obtained by closing the band gap in a topological insulating state and introducing a time-reversal-symmetry-breaking term. Based on the results, we discuss the electromagnetic susceptibilities, the current response, and other physical effects arising from the density-spin response. We find a magnetoelectric effect caused solely by the Fermi arcs. We also discuss the effect of electron-electron interactions within the random phase approximation and investigate the dispersion of surface plasmons formed by Fermi-arc states. Our work is useful for understanding the electromagnetic and optical properties of the Fermi arcs., Comment: 10 pages, 3 figures, plus appendices

Strontium ruthenate (Sr$_2$RuO$_4$) has long been thought to host a spin-triplet chiral $p$-wave superconducting state. However, the singletlike response observed in recent spin-susceptibility measurements casts serious doubts on this pairing state. Together with the evidence for broken time-reversal symmetry and a jump in the shear modulus $c_{66}$ at the superconducting transition temperature, the available experiments point towards an even-parity chiral superconductor with $k_z(k_x\pm ik_y)$-like $E_g$ symmetry, which has consistently been dismissed based on the quasi-two-dimensional electronic structure of Sr$_2$RuO$_4$. Here, we show how the orbital degree of freedom can encode the two-component nature of the $E_g$ order parameter, allowing for a local orbital-antisymmetric spin-triplet state that can be stabilized by on-site Hund's coupling. We find that this exotic $E_g$ state can be energetically stable once a complete, realistic three-dimensional model is considered, within which momentum-dependent spin-orbit coupling terms are key. This state naturally gives rise to Bogoliubov Fermi surfaces., Comment: 6+10 pages, 5 figures

Weyl semimetals are topological materials that provide a condensed-matter realization of the chiral anomaly. A positive longitudinal magnetoconductance quadratic in magnetic field has been promoted as a diagnostic for this anomaly. By solving the Boltzmann equation analytically, we show that the magnetoconductance can become negative in the experimentally relevant semiclassical regime of weak magnetic fields. This effect is due to the simultaneous presence of the Berry phase and the orbital magnetic moment of carriers and occurs for sufficiently strong intervalley scattering., Comment: 5 pages + supplemental material, 2 figures

Noncentrosymmetric superconductors with line nodes are expected to possess topologically protected flat zero-energy bands of surface states, which can be described as Majorana modes. We here investigate their fate if residual interactions beyond BCS theory are included. For a minimal square-lattice model with a plaquette interaction, we find string-like integrals of motion that form Clifford algebras and lead to exact degeneracies. These degeneracies strongly depend on whether the numbers of sites in the $x$ and $y$ directions are even or odd, and are robust against disorder in the interactions. We show that the mapping of the Majorana model onto two decoupled spin compass models [Kamiya et al., Phys. Rev. B 98, 161409 (2018)] and extra spectator degrees of freedom only works for open boundary conditions. The mapping shows that the three-leg and four-leg Majorana ladders are integrable, while systems of larger width are not. In addition, the mapping maximally reduces the effort for exact diagonalization, which is utilized to obtain the gap above the ground states. We find that this gap remains open if one dimension is kept constant and even, while the other is sent to infinity, at least if that dimension is odd. Moreover, we compare the topological properties of the interacting Majorana model to those of the toric-code model. The Majorana model has long-range entangled ground states that differ by $\mathbb{Z}_2$ fluxes through the system on a torus. The ground states exhibit string condensation similar to the toric code but the topological order is not robust. While the spectrum is gapped - due to spontaneous symmetry breaking inherited from the compass models - states with different values of the $\mathbb{Z}_2$ fluxes end up in the ground-state sector in the thermodynamic limit. Hence, the gap does not protect these fluxes against weak perturbations., Comment: 14 pages + references, 7 figures, minor update

Superconductors involving electrons with internal degrees of freedom beyond spin can have internally anisotropic pairing states that are impossible in single-band superconductors. As a case in point, in even-parity multiband superconductors that break time-reversal symmetry, nodes of the superconducting gap are generically inflated into two-dimensional Bogoliubov Fermi surfaces. The detection and characterization of these quasiparticle Fermi surfaces requires the understanding of their experimental consequences. In this paper, we derive the low-energy density of states for a broad range of possible nodal structures. Based on this, we calculate the low-temperature form of observables that are commonly employed for the characterization of nodal superconductors, i.e., the single-particle tunneling rate, the electronic specific heat and Sommerfeld coefficient, the thermal conductivity, the magnetic penetration depth, and the NMR spin-lattice relaxation rate, in the clean limit. We also address the question whether the topological invariant of the Bogoliubov Fermi surfaces is associated with topologically protected surface states, with negative results. This work is meant to serve as a guide for experimental searches for Bogoliubov Fermi surfaces in time-reversal-symmetry-breaking superconductors., Comment: 18 pages, 5 figures; minor revision

The time-convolutionless quantum master equation is an exact description of the nonequilibrium dynamics of open quantum systems, with the advantage of being local in time. We derive a perturbative expansion to arbitrary order in the system-reservoir coupling for its generator, which contains significantly fewer terms than the ordered-cumulant expansion. We show that the derived expansion also admits a simple recursive formulation. The derived series is then used to describe the nonequilibrium dynamics of a quantum dot, including coherences. We find a relation between the generator and a generalization of the $T$-matrix. Even though the $T$-matrix rate equations are plagued by divergences, we show that these cancel order by order in the generator of the time-convolutionless master equation. This generalizes previous work on the time-convolutionless Pauli master equation, which does not include coherences, and lays the ground for possible numerical evaluations and analytical resummations., Comment: 14 pages

The equations of motion for the position and gauge invariant crystal momentum are considered for multiband wave packets of Bloch electrons. For a localized packet in a subset of bands well-separated from the rest of the band structure of the crystal, one can construct an effective electromagnetic Hamiltonian with respect to the center of the packet. We show that the equations of motion can be obtained via a projection operator procedure, which is derived from the adiabatic approximation within perturbation theory. These relations explicitly contain information from each band captured in the expansion coefficients and energy band structure of the Bloch states as well as non-Abelian features originating from interband Berry phase properties. This general and transparent Hamiltonian-based approach is applied to a wave packet spread over a single band, a set of degenerate bands, and two linear crossing bands. The generalized equations of motion hold promise for novel effects in transport currents and Hall effect phenomena.

Weyl semimetals are characterized by unconventional electromagnetic response. We present analytical expressions for all components of the frequency- and wave-vector-dependent charge-spin linear-response tensor of Weyl fermions. The spin-momentum locking of the Weyl Hamiltonian leads to a coupling between charge and longitudinal spin fluctuations, while transverse spin fluctuations remain decoupled from the charge. A real Weyl semimetal with multiple Weyl nodes can show this charge-spin coupling in equilibrium if its crystal symmetry is sufficiently low. All Weyl semimetals are expected to show this coupling if they are driven into a non-equilibrium stationary state with different occupations of Weyl nodes, for example by exploiting the chiral anomaly. Based on the response tensor, we investigate the low-energy collective excitations of interacting Weyl fermions. For a local Hubbard interaction, the charge-spin coupling leads to a dramatic change of the zero-sound dispersion: its velocity becomes independent of the interaction strength and the chemical potential and is given solely by the Fermi velocity. In the presence of long-range Coulomb interactions, the coupling transforms the plasmon modes into spin plasmons. For real Weyl semimetals with multiple Weyl nodes, the collective modes are strongly affected by the presence of parallel static electric and magnetic fields, due to the chiral anomaly. In particular, the zero-sound frequency at fixed momentum and the spin content of the spin plasmons go through cusp singularities as the chemical potential of one of the Weyl cones is tuned through the Weyl node. We discuss possible experiments that could provide smoking-gun evidence for Weyl physics., Comment: 10 pages + appendices, major revision

Motivated by the proposal of a Weyl-semimetal phase in pyrochlore iridates, we consider a Hubbard-type model on the pyrochlore lattice. To shed light on the question as to why such a state has not been observed experimentally, its robustness is analyzed. On the one hand, we study the possible phases when the system is doped. Magnetic frustration favors several phases with magnetic and charge order that do not occur at half filling, including additional Weyl-semimetal states close to quarter filling. On the other hand, we search for density waves that break translational symmetry and destroy the Weyl-semimetal phase close to half filling. The uniform Weyl semimetal is found to be stable, which we attribute to the low density of states close to the Fermi energy., Comment: 12 pages + references, 12 figures, minor additions

The topological nature of Weyl semimetals (WSMs) is corroborated by the presence of chiral surface states, which connect the projections of the bulk Weyl points by Fermi arcs (FAs). We study a bilayer structure realized by introducing a thin insulating spacer into a bulk WSM. Employing a self-consistent mean-field description of the interlayer Coulomb interaction, we propose that this system can develop an interlayer electron-hole pair condensate. The formation of this excitonic condensate leads to partial gapping of the FA dispersion. We obtain the dependence of the energy gap and the critical temperature on the model parameters, finding, in particular, a linear scaling of these quantities with the separation between the Weyl points in momentum space. A detrimental role is played by the curvature of the FAs, although the pairing persists for moderately small curvature. A signature of the condensate is the modification of the quantum oscillations involving the surface FAs., Comment: 10 pages, 10 figures

The consistency with Onsager's theorem is examined for commonly used perturbative approaches, such as the Redfield and second-order von Neumann master equations, for thermoelectric transport through nanostructures. We study a double quantum dot, which requires coherences between states for a correct description, and we find that these perturbative approaches violate Onsager's theorem. We show that the deviations from the theorem scale with the lead-coupling strength in an order beyond the one considered systematically in the respective approach., Comment: 10 pages, 5 figures

A monolayer of molecules or quantum dots sandwiched between electrodes can be driven out of equilibrium by the application of a bias voltage between the electrodes. We study charge ordering, i.e., the spontaneous formation of a charge density wave, and the perpendicular current in such a system within a master-equation approach augmented by mean-field and classical Monte Carlo methods. Our approach is suitable for weak tunneling between the monolayer and the electrodes. For a square lattice with nearest-neighbor Coulomb repulsion, we present a comprehensive study of the zero-temperature phases controlled by the on-site energy, the bias voltage, and the degeneracy of the occupied single-site state. One of the most interesting results is the prediction of a conducting charge-density-wave phase that only occurs at a finite bias voltage. We also study the universality classes of the phase transitions towards charge-ordered states at zero and nonzero temperatures. While all transitions at $T>0$ and some at $T=0$ belong to the two-dimensional Ising universality class, we also find an absorbing-to-active phase transition in the $\mathbb{Z}_2$ symmetric directed percolation (DP2) class at $T=0$., Comment: 16 pages, 16 figures; minor changes

In conventional metals, electronic transport in a magnetic field is characterized by the motion of electrons along orbits on the Fermi surface, which usually causes an increase in the resistivity through averaging over velocities. Here we show that large deviations from this behavior can arise in density-wave systems close to their ordering temperature. Specifically, enhanced scattering off collective fluctuations can lead to a change of direction of the orbital motion on reconstructed pockets. In weak magnetic fields, this leads to linear magnetoconductivity, the sign of which depends on the electric-field direction. At a critical magnetic field, the conductivity crosses zero for certain directions, signifying a thermodynamic instability of the density-wave state., Comment: 9 pages, 8 figures

We present a detailed investigation of the magnetic and superconducting properties of Ca1-xNaxFe2As2 single crystals with x = 0.00, 0.35, 0.50, and 0.67 by means of the local probe techniques Moessbauer spectroscopy and muon spin relaxation experiments. With increasing Na substitution level, the magnetic order parameter as well as the magneto-structural phase transition are suppressed. For x = 0.50 we find a microscopic coexistence of magnetic and superconducting phases accompanied by a reduction of the magnetic order parameter below the superconducting transition temperature Tc. A systematic comparison with other 122 pnictides reveals a square-root correlation between the reduction of the magnetic order parameter and the ratio of the transition temperatures, Tc/TN, which can be understood in the framework of a Landau theory. In the optimally doped sample with Tc = 34 K, diluted magnetism is found and the temperature dependence of the penetration depth and superfluid density are obtained, proving the presence of two superconducting s-wave gaps, Comment: 14 pages, 14 figures

We study the stability of topologically protected zero-energy flat bands at the surface of nodal noncentrosymmetric superconductors, accounting for the alteration of the gap near the surface. Within a selfconsistent mean-field theory, we show that the flat bands survive in a broad temperature range below the bulk transition temperature. There is a second transition at a lower temperature, however, below which the system spontaneously breaks time-reversal symmetry. The surface bands are shifted away from zero energy and become weakly dispersive. Simultaneously, a spin polarization and an equilibrium charge current develop in the surface region., Comment: 5+4 pages, 5+1 figures

We study the large-$n$ limit of the probability $p_{2n,2k}$ that a random $2n\times 2n$ matrix sampled from the real Ginibre ensemble has $2k$ real eigenvalues. We prove that, $$\lim_{n\rightarrow \infty}\frac {1}{\sqrt{2n}} \log p_{2n,2k}=\lim_{n\rightarrow \infty}\frac {1}{\sqrt{2n}} \log p_{2n,0}= -\frac{1}{\sqrt{2\pi}}\zeta\left(\frac{3}{2}\right),$$ where $\zeta$ is the Riemann zeta-function. Moreover, for any sequence of non-negative integers $(k_n)_{n\geq 1}$, $$\lim_{n\rightarrow \infty}\frac {1}{\sqrt{2n}} \log p_{2n,2k_n}=-\frac{1}{\sqrt{2\pi}}\zeta\left(\frac{3}{2}\right),$$ provided $\lim_{n\rightarrow \infty} \left(n^{-1/2}\log(n)\right) k_{n}=0$., Comment: 23 pages, 1 figure

We investigate a system of multiple Majorana states at the end of a topological superconducting wire coupled to a normal lead. For a minimum of three Majorana fermions at the interface, we find nontrivial renormalization physics. Interface tunneling processes can be classified in terms of spin-1/2 and spin-3/2 irreducible representations of the SU(2) group. We show that the renormalization of the tunneling amplitudes belonging to different representations is completely different in that one type is suppressed, whereas the other is enhanced, depending on the sign of the interaction coupling. This results in distinct temperature dependencies of the tunneling current through the interface and different spin polarizations of this current., Comment: 5 pages, 1 figure

Surface states of topological noncentrosymmetric superconductors exhibit intricate helical spin textures, i.e., the spin orientation of the surface quasiparticles is coupled to their momentum. Using quasiclassical theory, we study the spin polarization of the surface states as a function of the spin-orbit interaction and superconducting pairing symmetry. We focus on two- and three-dimensional fully gapped and nodal noncentrosymmetric superconductors. For the case of nodal systems, we show that the spin polarization of the topological flat bands is controlled by the spin polarization of the bulk normal states at the bounding gap nodes. We demonstrate that the zero-bias conductance in a magnetic tunnel junction can be used as an experimental test of the surface-state spin polarization., Comment: 18 pages, 6 figures

The large in-plane anisotropy of the resistivity is a hallmark of the nematic state of the iron pnictides. Solving the Boltzmann transport equation, we show that the prominent doping dependence as well as the large values of the anisotropy can be well explained by momentum-dependent spin-fluctuation scattering without assuming anisotropic impurity states. Due to the forward-scattering corrections, the hot spots contribute to the resistive anisotropy even in the case of strong spin fluctuations, which makes large values of the anisotropy possible. The ellipticity of the electron pockets plays an important role in explaining the dominance of positive values of the anisotropy, i.e., larger resistivity in the direction with weaker spin fluctuations, throughout the doping range., Comment: 7 pages, 5 figures

The nontrivial topology of the electronic structure of iron pnictides can lead to the appearance of surface states. We study such states in various strip geometries with a focus on the superconducting phase. In the presence of unconventional superconducting pairing with $s_\pm$-wave gap structure, the topological states are quite robust and partly remain in the superconducting gap. Furthermore, Andreev bound states appear, which coexist with the topological states for small superconducting gaps and merge with them for larger gap values. The bulk and surface dispersions are obtained from exact diagonalization for two-orbital and five-orbital models in strip geometries., Comment: 9 pages, 11 figures

Multiband models with hot spots are of current interest partly because of their relevance for the iron-based superconductors. In these materials, the momentum-dependent scattering off spin fluctuations and the ellipticity of the electron Fermi pockets are responsible for anisotropy of the lifetimes of excitations around the Fermi surface. The deep minima of the lifetimes---the so-called hot spots---have been assumed to contribute little to the transport as is indeed predicted by a simple relaxation-time approach. Calculating forward-scattering corrections to this approximation, we find that the effective transport times are much more isotropic than the lifetimes and that, therefore, the hot spots contribute to the transport even in the case of strong spin-fluctuation scattering. We discuss this effect on the basis of an analytical solution of the Boltzmann equation and calculate numerically the temperature and doping dependence of the resistivity and the Hall, Seebeck, and Nernst coefficients., Comment: 12 pages, 7 figures

Some of the iron pnictides show coexisting superconductivity and spin-density-wave order. We study the superconducting pairing instability in the spin-density-wave phase. Assuming that the pairing interaction is due to spin fluctuations, we calculate the effective pairing interactions in the singlet and triplet channels by summing the bubble and ladder diagrams taking the reconstructed band structure into account. The leading pairing instabilities and the corresponding superconducting gap structures are then obtained from the superconducting gap equation. We illustrate this approach for a minimal two-band model of the pnictides. Analytical and numerical results show that the existence of propagating magnons in the spin-density-wave phase strongly enhances the pairing in both the singlet and the spin s_z=0 triplet channel. Over a limited parameter range, a spin s_z=0 triplet p_x-wave state is the dominant instability. It competes with various singlet states, which have mostly s^\pm-type structures. We analyze the effect of various symmetry-allowed interactions on the pairing in some detail., Comment: 14 pages, 11 figures

Unexpected transport behavior can arise due to anisotropic single-particle scattering in multiband systems. Specifically, we show within a semiclassical Boltzmann approach beyond the relaxation-time approximation that anisotropic scattering between electronlike and holelike Fermi surfaces generically leads to negative transport times, which in turn cause negative magnetoresistance, an extremum in the Hall coefficient, and a reduction of the resistivity. The anisotropy required for this to occur decreases with increasing mismatch between the Fermi-surface radii., Comment: 6 pages, 6 figures, published version

The electronic structure of iron pnictides is topologically nontrivial, leading to the appearance of Dirac cones in the band structure for the antiferromagnetic phase. Motivated by the analogy with Dirac cones in graphene, we explore the possible existence of topologically protected surface states. Surprisingly, bands of surface states exist even in the paramagnetic state. A realistic five-orbital model predicts two such bands. In the antiferromagnetic phase, these surface bands survive but split. We obtain the bulk and surface dispersion from exact diagonalization of two- and five-orbital models in a strip geometry and discuss the results based on topology., Comment: 5 pages, 4 figures

We propose the existence of a substantial charge current parallel to the interface between a noncentrosymmetric superconductor and a metallic ferromagnet. Our analysis focuses upon two complementary orbital-angular-momentum pairing states of the superconductor, exemplifying topologically nontrivial states which are gapped and gapless in the bulk, respectively. Utilizing a quasiclassical scattering theory, we derive an expression for the interface current in terms of Andreev reflection coefficients. Performing a systematic study of the current, we find stark qualitative differences between the gapped and gapless superconductors, which reflect the very different underlying topological properties. For the fully gapped superconductor, there is a sharp drop in the zero-temperature current as the system is tuned from a topologically nontrivial to a trivial phase. We explain this in terms of the sudden disappearance of the contribution to the current from the subgap edge states at the topological transition. The current in the gapless superconductor is characterized by a dramatic enhancement at low temperatures, and exhibits a singular dependence on the exchange-field strength in the ferromagnetic metal at zero temperature. This is caused by the energy shift of the strongly spin-polarized nondegenerate zero-energy flat bands due to their coupling to the exchange field. We argue that the interface current provides a novel test of the topology of the superconductor, and discuss prospects for the experimental verification of our predictions., Comment: 22 pages, 8 figures, this version includes corrections made in a corrigendum to the published article

We study nondegenerate flat bands at the surfaces of noncentrosymmetric topological superconductors by exact diagonalization of Bogoliubov-de Gennes Hamiltonians. We show that these states are strongly spin polarized, and acquire a chiral dispersion when placed in contact with a ferromagnetic insulator. This chiral mode carries a large edge current which displays a singular dependence on the exchange-field strength. The contribution of other edge states to the current is comparably weak. We hence propose that the observation of the edge current can serve as a test of the presence of nondegenerate flat bands., Comment: 5 pages, 4 figures, plus supplemental material, published version

The quantum master equation applied to electronic transport through nanoscopic devices provides information not only on the stationary state but also on the dynamics. The dynamics is characterized by the eigenvalues of the transition-rate matrix, or generator, of the master equation. We propose to use the spectrum of these eigenvalues as a tool for the study of nanoscopic transport. We illustrate this idea by analyzing a molecular quantum dot with an electronic orbital coupled to a vibrational mode, which shows the Franck-Condon blockade if the coupling is strong. Our approach provides complementary information compared to the study of observables in the stationary state., Comment: 13 pages, 13 figures

Single-molecule magnets weakly coupled to two ferromagnetic leads act as memory devices in electronic circuits---their response depends on history, not just on the instantaneous applied voltage. We show that magnetic anisotropy introduces a wide separation of timescales between fast and slow relaxation processes in the system, which leads to a pronounced memory dependence in a wide intermediate time regime. We study the response to a harmonically varying bias voltage from slow to rapid driving within a master-equation approach. The system is not purely memristive but shows a partially capacitive response on short timescales. In the intermediate time regime the molecular spin can be used as the state variable in a two-terminal molecular memory device., Comment: 12+ pages, 12 figures

Quantum stochastic methods based on effective wave functions form a framework for investigating the generally non-Markovian dynamics of a quantum-mechanical system coupled to a bath. They promise to be computationally superior to the master-equation approach, which is numerically expensive for large dimensions of the Hilbert space. Here, we numerically investigate the suitability of a known stochastic Schr\"odinger equation that is local in time to give a description of thermal relaxation and energy transport. This stochastic Schr\"odinger equation can be solved with a moderate numerical cost, indeed comparable to that of a Markovian system, and reproduces the dynamics of a system evolving according to a general non-Markovian master equation. After verifying that it describes thermal relaxation correctly, we apply it for the first time to the energy transport in a spin chain. We also discuss a portable algorithm for the generation of the coloured noise associated with the numerical solution of the non-Markovian dynamics., Comment: 15 pages, 5 figures, iopart class

Quantum spin Hall insulators, recently realized in HgTe/(Hg,Cd)Te quantum wells, support topologically protected, linearly dispersing edge states with spin-momentum locking. A local magnetic exchange field can open a gap for the edge states. A quantum-dot structure consisting of two such magnetic tunneling barriers is proposed and the charge transport through this device is analyzed. The effects of a finite bias voltage beyond linear response, of a gate voltage, and of the charging energy in the quantum dot are studied within a combination of Green-function and master-equation approaches. Among other results, a partial recurrence of non-interacting behavior is found for strong interactions, and the possibility of controlling the edge magnetization by a locally applied gate voltage is proposed., Comment: 12 pages, 7 figures

Nodal noncentrosymmetric superconductors have topologically nontrivial properties manifested by protected zero-energy surface states. Specifically, it was recently found that zero-energy surface flat bands of topological origin appear at their surface. We show that the presence of certain inversion-type lattice symmetries can give rise to additional topological features of the gap nodes, resulting in surface states forming one-dimensional arcs connecting the projections of two nodal rings. In addition, we demonstrate that Majorana surface states can appear at time-reversal-invariant momenta of the surface Brillouin zone, even when the system is not fully gapped in the bulk. Within a continuum theory we derive the topological invariants that protect these different types of zero-energy surface states. We independently derive general conditions for the existence of zero-energy surface bound states using the complementary quasiclassical scattering theory, explicitly taking into account the effects of spin-orbit splitting of the bands. We compute surface bound-state spectra for various crystal point-group symmetries and orbital-angular-momentum pairing states. Finally, we examine the signatures of the arc surface states and of the zero-energy surface flat bands in tunneling-conductance spectra and discuss how topological phase transitions in noncentrosymmetric superconductors could be observed in experiments., Comment: 15 pages, 8 figures, published version

Charge and spin transport in a junction involving two triplet superconductors and a ferromagnetic barrier are studied. We use Bogoliubov-de Gennes wavefunctions to construct the Green's function, from which we obtain the Josephson currents in terms of the Andreev reflection coefficients. We focus on the consequences of a finite barrier width for the occurrence of 0-\pi transitions and for the spin currents, and examine the appropriateness of the common \delta-function approximation for the tunneling region.

We examine the competition of the observed stripe spin density wave (SDW) with other commensurate and incommensurate SDW phases in a two-band model of the pnictides. Starting from this microscopic model, we rigorously derive an expansion of the free energy in terms of the different order parameters at the mean-field level. We show that three distinct commensurate SDW states are possible and study their appearance as a function of the doping and the electronic structure. We show that the stripe phase is generally present, but its extent in the phase diagram depends strongly upon the number of hole Fermi pockets that are nested with the electron Fermi pockets. Electron pockets competing for the same portion of a hole pocket play a crucial role. We discuss the relevance of our results for the antiferromagnetism of the pnictides., Comment: 8 pages, 4 figures, published version