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The correlation functions related to topological phase transitions in inversion-symmetric lattice models described by $2\times 2$ Dirac Hamiltonians are discussed. In one dimension, the correlation function measures the charge-polarization correlation between Wannier states at different positions, while in two dimensions it measures the itinerant-circulation correlation between Wannier states. The correlation function is nonzero in both the topologically trivial and nontrivial states, and allows to extract a correlation length that diverges at topological phase transitions. The correlation length and the curvature function that defines the topological invariants are shown to have universal critical exponents, allowing the notion of universality classes to be introduced. Particularly in two dimensions, the universality class is determined by the orbital symmetry of the Dirac model. The scaling laws that constrain the critical exponents are revealed, and are predicted to be satisfied even in interacting systems, as demonstrated in an interacting topological Kondo Insulator., Comment: 13 pages, 7 figures

The band theory of solids is arguably the most successful theory of condensed matter physics, providing the description of the electronic energy levels in a variety of materials. Electronic wavefunctions obtained from the band theory allow for a topological characterization of the system and the electronic spectrum may host robust, topologically protected fermionic quasiparticles. Many of these quasiparticles are analogs of the elementary particles of the Standard Model, but others do not have a counterpart in relativistic high-energy theories. A full list of possible quasiparticles in solids is still unknown, even in the non-interacting case. Here, we report on a new type of fermionic excitation that appears in metals. This excitation forms a nodal chain -- a chain of connected loops in momentum space -- along which conduction and valence band touch. We prove that the nodal chain is topologically distinct from any other excitation reported before. We discuss the symmetry requirements for the appearance of this novel excitation and predict that it is realized in an existing material IrF$_4$, as well as in other compounds of this material class. Using IrF$_4$ as an example, we provide a detailed discussion of the topological surface states associated with the nodal chain. Furthermore, we argue that the presence of the novel quasiparticles results in anomalous magnetotransport properties, distinct from those of the known materials., Comment: Main text: 6 pages, 4 figures; Supplement: 14 pages, 8 figures, 5 tables

The recent discovery of topological Kondo insulators has triggered renewed interest in the well-known Kondo insulator samarium hexaboride, which is hypothesized to belong to this family. In this Letter, we study the spin texture of the topologically protected surface states in such a topological Kondo insulator. In particular, we derive close relationships between (i) the form of the hybridization matrix at certain high-symmetry points, (ii) the mirror Chern numbers of the system, and (iii) the observable spin texture of the topological surface states. In this way, a robust classification of topological Kondo insulators and their surface-state spin texture is achieved. We underpin our findings with numerical calculations of several simplified and realistic models for systems like samarium hexaboride., Comment: 4 + 4 pages, 3 + 3 figures; published version

We study the electronic properties of strongly spin-orbit coupled electrons on the elastic pyrochlore lattice. Akin to the Peierls transition in one-dimensional systems, the coupling of the lattice to the electronic degrees of freedom can stabilize a spontaneous deformation of the crystal. This deformation corresponds to a breathing mode, which breaks the inversion symmetry. We find that for intermediate values of the staggered strain, the inversion-symmetry broken phase realizes a topological Weyl semimetal. In the temperature-elasticity phase diagram, the Weyl semimetal shows a reentrant phase behavior: it can be reached from a symmetric phase realized both at higher and at lower temperatures. The symmetric phase is a Dirac semimetal, which is protected by the non-symmorphic space group of the pyrochlore lattice. Beyond a critical value of the staggered strain, the symmetry-broken phase is a fully gapped trivial insulator. The surface states of the Weyl semimetal form open Fermi arcs and we observe that their connectivity depends on the termination of the crystal. In particular, for the $\{111\}$ films, the semiclassical closed electronic orbits of the surface states in a magnetic field cross the bulk either twice, four, six or twelve times. We demonstrate how one can tune the number of bulk crossings through a Lifshitz-like transition of the Fermi arcs, which we call Weyl-Lifshitz transition, by applying a surface potential. Our results offer a route to a topological Weyl semimetal in nonmagnetic materials and might be relevant for pyrochlore oxides with heavy transition-metal ions such as alloys of iridates., Comment: 18 pages, 11 figures

Using a combination of density functional theory, tight-binding models, and Hartree-Fock theory, we predict topological phases with and without time-reversal symmetry breaking in oxide heterostructures. We consider both heterostructures containing light transition metal ions, and those containing heavy transition metal ions. We find the (111) growth direction naturally leads to favorable conditions for topological phases in both perovskite structures and pyrochlore structures. For the case of light transition metal elements, Hartree-Fock theory predicts the spin-orbit coupling is effectively enhanced by on-site multiple-orbital interactions and may drive the system through a topological phase transition, while heavy elements with intrinsically large spin-orbit coupling require much weaker, or even vanishing electron interactions to bring about a topological phase., Comment: 6 pages, 6 figures. Submitted to conference proceedings

Metallic interfaces between insulating perovskites are often observed in heterostructures combining polar and nonpolar materials. In these systems, the polar discontinuity across the interface may drive an electronic reconstruction inducing free carriers at the interface. Here, we theoretically show that a metallic interface between a Mott- and a band-insulator can also form in the absence of a polar discontinuity. The condition for the appearance of such a metallic state is consistent with the classical Mott criterion: the metallic state is stable if the screening length falls below the effective Bohr radius of a particle-hole pair. In this case, the metallic state bears a remarkable similarity to the one found in polar/nonpolar heterostructures. On the other hand, if the screening length approaches the size of the effective Bohr radius, particles and holes are bound to each other resulting in an overall insulating phase. We analyze this metal-insulator transition, which is tunable by the dielectric constant, in the framework of the slave-boson mean-field theory for a lattice model with both onsite and long-range Coulomb interactions. We discuss ground-state properties and transport coefficients, which we derive in the relaxation-time approximation. Interestingly, we find that the metal-insulator transition is accompanied by a strong enhancement of the Seebeck coefficient in the band-insulator region in the vicinity of the interface. The implications of our theoretical findings for various experimental systems such as nonpolar (110) interfaces are also discussed., Comment: 13 pages, 14 figures

We construct a lattice model for a cubic Kondo insulator consisting of one spin-degenerate $d$ and $f$ orbital at each lattice site. The odd-parity hybridization between the two orbitals permits us to obtain various trivial and topological insulating phases, which we classify in the presence of cubic symmetry. In particular, depending on the choice of our model parameters, we find a strong topological insulator phase with a band inversion at the $\mathrm{X}$ point, modeling the situation potentially realized in SmB$_6$, and a topological crystalline insulator phase with trivial $\mathbb{Z}_2$ indices but nonvanishing mirror Chern numbers. Using the Kotliar-Ruckenstein slave-boson scheme, we further demonstrate how increasing interactions among $f$ electrons can lead to topological phase transitions. Remarkably, for fixed band parameters, the $f$-orbital occupation number at the topological transitions is essentially independent of the interaction strength, thus yielding a robust criterion to discriminate between different phases., Comment: 15 pages, 13 figures

Lattices with a basis can host crystallographic defects which share the same topological charge (e.g.~the Burgers vector $\vec b$ of a dislocation) but differ in their microscopic structure of the core. We demonstrate that in insulators with particle-hole symmetry and an odd number of orbitals per site, the microscopic details drastically affect the electronic structure: modifications can create or annihilate non-trivial bound states with an associated fractional charge. We show that this observation is related to the behavior of end modes of a dimerized chain and discuss how the end or defect states are predicted from topological invariants in these more complicated cases. Furthermore, using explicit examples on the honeycomb lattice, we explain how bound states in vacancies, dislocations and disclinations are related to each other and to edge modes and how similar features arise in nodal semimetals such as graphene.

Heterostructures of transition-metal oxides emerged as a new route to engineer electronic systems with desired functionalities. Motivated by these developments, we study a two-orbital Hubbard model in a thin-film geometry confined along the cubic [001] direction using the dynamical mean-field theory. We contrast the results of two approximate impurity solvers (exact diagonalization and one-crossing approximation) to the results of the numerically exact continuous-time quantum Monte Carlo solver. Consistent with earlier studies, we find that the one-crossing approximation performs well in the insulating regime, while the advantage of the exact-diagonalization based solver is more pronounced in the metallic regime. We then investigate various aspects of strongly correlated eg-orbital systems in thin film geometries. In particular, we show how the interfacial orbital polarization dies off quickly a few layers from the interface and how the film thickness affects the location of the interaction-driven Mott transition. In addition, we explore the changes in the electronic structure with varying carrier concentration and identify large variations of the orbital polarization in the strongly correlated regime., Comment: 11 pages, 11 figures

We study the superfluid and insulating phases of interacting bosons on the triangular lattice with an inverted dispersion, corresponding to frustrated hopping between sites. The resulting single-particle dispersion has multiple minima at nonzero wavevectors in momentum space, in contrast to the unique zero-wavevector minimum of the unfrustrated problem. As a consequence, the superfluid phase is unstable against developing additonal chiral order that breaks time reversal (T) and parity (P) symmetries by forming a condensate at nonzero wavevector. We demonstrate that the loss of superfluidity can lead to an even more exotic phase, the chiral Mott insulator, with nontrivial current order that breaks T, P. These results are obtained via variational estimates, as well as a combination of bosonization and DMRG of triangular ladders, which taken together permit a fairly complete characterization of the phase diagram. We discuss the relevance of these phases to optical lattice experiments, as well as signatures of chiral symmetry breaking in time-of-flight images., Comment: 4+epsilon pages, 3 figures (main text); 4.5 pages, 1 figure (supplementary material)

The unusual electronic properties of the quantum spin Hall or Chern insulator become manifest in the form of robust edge states when samples with boundaries are studied. In this work, we ask if and how the topologically non-trivial electronic structure of these two-dimensional systems can be passed on to their zero-dimensional relatives, namely fullerenes or other closed-cage molecules. To address this question, we study Haldane's honeycomb lattice model on polyhedral nano-surfaces. We find that for sufficiently large surfaces characteristic corner states appear for parameters for which the planar model displays a quantized Hall effect. In the electronic structure, these corner states show up as in-gap modes which are well separated from the quasi-continuum of states. We discuss the role of finite size effects and how the coupling between the corner states lifts the degeneracy in a characteristic way determined by the combined Berry phases which leads to an effective magnetic monopole of charge 2 at the center of the nano-surface. Experimental implications for fullerenes in the large spin-orbit regime are also pointed out., Comment: 12 pages, 13 figures

We theoretically investigate the influence of internal and external strain on topological phases in (LaNiO$_3$)$_2$/(LaAlO$_3$)$_N$ heterostructures grown along the [111] direction. At the Hartree-Fock level, topological phases originate from an interaction-generated effective spin-orbit coupling that opens a gap in the band structure. For the unstrained system, there is a quadratic band touching at the $\Gamma$ point at the Fermi energy for unpolarized electrons and Dirac points at K, K$'$ at the Fermi energy for fully polarized electrons. Using density functional theory we show that the quadratic band touching and Dirac points are remarkably stable to internal strain-induced out-of-plane distortions and rotations of the oxygen octahedra, which we compute. The lack of a gap opening from internal strain implies a robustness to the mean-field predicted topological phases for both the polarized and unpolarized systems. We also consider an external strain imposed along the [001] cubic direction and show this can open a gap at the $\Gamma$ point but leaves the Dirac points intact. Finally, we compute a phase diagram for parameters relevant to LaNiO$_3$ which shows that strain favors a phase with polarized orbitals and antiferromagnetic spin order, but leaves earlier predictions for a zero-magnetic field topological quantum Hall state essentially unchanged. Taken together, our results suggest that the [111] growth direction in perovskites may lead to thin films that are relatively immune to distortion effects compared to those grown along [001]., Comment: 10 pages, 9 figures; published version

We study the effect of electron-electron interactions in a spinful Chern insulator. For weak on-site repulsive interactions at half-filling, the system is a weakly correlated Chern insulator adiabatically connected to the noninteracting ground state, while in the limit of infinitely strong repulsion the system is described by an effective spin model recently predicted to exhibit a chiral spin liquid ground state. In the regime of large but finite repulsion, we find an exotic gapped phase with characteristics partaking of both the noninteracting Chern insulator and the chiral spin liquid. This phase has an integer quantized Hall conductivity $2e^2/h$ and quasiparticles with electric charges that are integer multiples of the electron charge $e$, but the ground state on the torus is four-fold degenerate and quasiparticles have fractional statistics. We discuss how these unusual properties affect the outcome of a charge pumping experiment and, by deriving the topological field theory, elucidate that the topological order is of the exotic $\mathbb{Z}_2$ double-semion type., Comment: Published version. Main text: 5+ pages, 2 figures; supplementary material: 5 pages, 1 figure

We show that the physical subspace in the Z2-slave-spin theory is conserved under the time evolution of the system. Thus, when restricted to the physical subspace, this representation gives a complete and consistent description of the original problem. In addition, we review two known examples from the existing literature in which the projection onto the physical subspace can be relaxed: (i) the non-interacting limit in any dimension at half filling and (ii) the interacting model in the infinite dimensional limit at half filling. In both cases, physical observables are correctly obtained without explicit treatment of the constraints which define the physical subspace. In these examples, correct results are obtained, despite the fact that unphysical states enter the solution., Comment: Reply to http://link.aps.org/doi/10.1103/PhysRevB.87.037101

We show that for multi-orbital quantum impurity models the non-crossing approximation and one-crossing approximation versions of the self-consistent hybridization expansions violate the sum rules relating the coefficients of the high-frequency expansion of the self energy and the product of the self energy and Green function to thermodynamic expectation values. Comparison of non-crossing/one-crossing results to numerically exact quantum Monte-Carlo calculations shows that the consistency with sum rules provides a useful estimate of the reliability of the approximations. The sum rule violations are more pronounced, and therefore the quality of the non-crossing/one-crossing approximation is poorer, in situations with multiple orbitals and away from particle-hole symmetry but becomes less severe as the correlation strength increases. The one crossing approximation is markedly superior to the non-crossing approximation., Comment: 11 pages, 11 figures, references added, introduction modified

We theoretically study a multi-band Hubbard model of pyrochlore oxides of the form A$_2$B$_2$O$_7$, where B is a heavy transition metal ion with strong spin-orbit coupling, in a thin film geometry orientated along the [111] direction. Along this direction, the pyrochlore lattice consists of alternating kagome and triangular lattice planes of B ions. We consider a single kagome layer, a bilayer, and the two different trilayers. As a function of the strength of the spin-orbit coupling, the direct and indirect $d$-orbital hopping, and the band filling, we identify a number of scenarios where a non-interacting time-reversal invariant Z$_2$ topological phase is expected and we suggest some candidate materials. We study the interactions in the half-filled $d$-shell within Hatree-Fock theory and identify parameter regimes where a zero magnetic field Chern insulator with Chern number $\pm1$ can be found. The most promising geometries for topological phases appear to be the bilayer which supports both a Z$_2$ topological insulator and a Chern insulator, and the triangular-kagome-triangular trilayer which supports a relatively robust Chern insulator phase., Comment: 12 pages, 14 figures, with one figure added and references updated

We investigate the electronic structure induced by wedge-disclinations (conical singularities) in a honeycomb lattice model realizing Chern numbers $\gamma=\pm 1$. We establish a correspondence between the bound state of (i) an isolated $\Phi_0/2$-flux, (ii) an isolated pentagon $(n=1)$ or heptagon $(n=-1)$ defect with an external flux of magnitude $n\gamma \Phi_0/4$ through the center and (iii) an isolated square or octagon defect without external flux, where $\Phi_0=h/e$ is the flux quantum. Due to the above correspondence, the existence of isolated electronic states bound to the disclinations is robust against various perturbations. These results are also generalized to graphene-based time-reversal invariant topological insulators., Comment: 5+4 pages, 4+3 figures, revised introduction and Fig. 4

The electronic structure of a LaNiO$_3$ bilayer grown along the [111] direction and confined between insulating layers of LaAlO$_3$ is theoretically investigated using a combination of first principle calculations and effective multi-orbital lattice models. The LDA band structure is well reproduced by a tight-binding model for the Ni-$e_g$ orbitals defined on the buckled honeycomb lattice. We highlight peculiar properties of this model which include almost flat bands as well as linear and quadratic band crossing points. The effect of local correlations is discussed within the LDA$+U$ scheme and within the Hartree-Fock approximation for interacting multi-orbital lattice models. Over a wide range of interaction parameters we find that a ferromagnetic phase is energetically favored. We discuss the possibility of additional orbital order which could stabilize a spontaneous Chern insulator with chiral edge modes or a staggered orbital phase with a $\sqrt{3}\times\sqrt{3}$ reconstruction of the unit cell. By studying an interacting nickel-oxygen lattice model we find that the stability of these orbitally ordered phases also depends on the value of the charge-transfer energy. Controlling the charge-transfer energy might therefore be an important step towards engineering exotic electronic phases in certain classes of oxide heterostructures., Comment: 11 pages, 11 figures

Topological band insulators which are dynamically generated by electron-electron interactions have been the- oretically proposed in two and three dimensional lattice models. We present evidence that the two-dimensional version can be stabilized in digital (111) heterostructures of transition-metal oxides as a result of purely local interactions. The topological phases are accompanied by spontaneous ordering of complex orbitals and we discuss their stability with respect to the Hund's rule coupling, Jahn-Teller interaction and inversion symmetry breaking terms. As main competitors we identify spin-nematic and magnetic phases., Comment: 4+6 pages, 3+1 figures, phase diagrams corrected and refined, reference list expanded

We provide a self-consistent mean-field framework to study the effect of strong interactions in a quantum spin Hall insulator on the honeycomb lattice. We identify an exotic phase for large spin-orbit coupling and intermediate Hubbard interaction. This phase is gapped in the bulk, has gapless edge states and does not break any symmetry. Instead, we find a four-fold topological degeneracy of the ground state on the torus and fractionalized excitations with semionic mutual braiding statistics. Our work highlights the important theme that interesting phases arise in the regime of strong spin-orbit coupling and interactions., Comment: 5 pages, 4 figures, presentation improved, references added, experimental signature added

We study the spinless and spinful extended Hubbard models with repulsive interactions on the kagome and the decorated honeycomb ("star") lattice. Using Hartree-Fock mean-field theory, we show that interaction-driven insulating phases with non-trivial topological invariants (Chern number or $Z_2$ invariant) exist for an experimentally reasonable range of parameters. These phases occur at filling fractions which involve either Dirac points or quadratic band crossing points in the non-interacting limit. We present comprehensive mean-field phase diagrams for these lattices and discuss the competition between topologically non-trivial phases and numerous other ordered states, including various charge, spin, and bond orderings. Our results suggest that $Z_2$ topological insulators should be found in a number of systems with either little or no intrinsic spin-orbit coupling., Comment: 16 pages, 12 figures

We study the double occupancy in a fermionic Mott insulator at half-filling generated via a dynamical periodic modulation of the hopping amplitude. Tuning the modulation amplitude, we describe a crossover in the nature of doublon-holon excitations from a Fermi Golden Rule regime to damped Rabi oscillations. The decay time of excited states diverges at a critical modulation strength, signaling the transition to a dynamically bound non-equilibrium state of doublon-holon pairs. A setup using a fermionic quantum gas should allow to study the critical exponents., Comment: 4 pages, 2 figures

We show that the decorated honeycomb lattice supports a number of topological insulating phases with a non-trivial Z_2 invariant and time-reversal symmetry protected gapless edge modes. We investigate the stability of these phases with respect to various symmetry breaking perturbations and demonstrate the connection to the recently discovered exactly solvable S=1/2 chiral spin liquid model [Phys. Rev. Lett. 99, 247203 (2007)] with non-Abelian and Abelian excitations on the same lattice. Our work highlights the relationship between topological band insulators and topologically ordered spin systems, and points to promising avenues for enlarging the number of known examples of both., Comment: 7 pages, 5 figures

We present aspects of strong electron correlation in a model of a BI/M/BI heterostructure where BI is a band insulator and M can be tuned from a metal to a Mott insulator by varying the on-site repulsion. An effective one-dimensional Schroedinger equation for the low-energy part is derived in the framework of the Kotliar-Ruckenstein slave-boson mean-field theory and solved self-consistently for a wide range of the on-site interaction strength and of the width of the sandwiched material M. In the strongly interacting limit coherent quasiparticles responsible for metallic behavior are confined to a relatively narrow region near the interfaces where they form a quasi-two-dimensional electron gas. Due to the lack of spatial homogeneity these quasiparticles intrinsically obtain a nontrivial dependence on the transverse momentum which for example enters the low-energy behavior of the optical conductivity.