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Werner Hanke

Publications and source records attributed to Werner Hanke.

At least 37 records · Page 2Linked to original sources

Phase diagram of the Hubbard model on the anisotropic triangular lattice

We investigate the Hubbard model on the anisotropic triangular lattice as a suggested effective description of the Mott phase in various triangular organic compounds. Employing the variational cluster approximation and the ladder dual-fermion approach as complementary methods to adequately treat the zero-temperature and the finite-temperature domains, we obtain a consistent picture of the phase diagram as a function of anisotropy and interaction strength. The metal-insulator transition substantially depends on the anisotropy, and so does the nature of magnetism and the emergence of a nonmagnetic insulating phase. We further find that geometric anisotropy significantly influences the thermodynamics of the system. For increased frustration induced by anisotropy, the entropy of the system increases with interaction strength, opening the possibility of adiabatically cooling a frustrated system by an enhancement of electronic correlations.

cond-mat.str-el↗

Interacting weak topological insulators and their transition to Dirac semimetal phases

Topological insulators in the presence of strong Coulomb interaction constitute novel phases of matter. Transitions between these phases can be driven by single-particle or many-body effects. On the basis of {\it ab-initio} calculations, we identify a concrete material, {\it i.e.} Ca$_{2}$PtO$_{4}$, that turns out to be a hole-doped weak topological insulator. Interestingly, the Pt-$d$ orbitals in this material are relevant for the band inversion that gives rise to the topological phase. Therefore, Coulomb interaction should be of importance in Ca$_{2}$PtO$_{4}$. To study the influence of interactions on the weak topological insulating phase, we look at a toy model corresponding to a layer-stacked 3D version of the Bernevig-Hughes-Zhang model with local interactions. For small to intermediate interaction strength, we discover novel interaction-driven topological phase transitions between the weak topological insulator and two Dirac semimetal phases. The latter correspond to gapless topological phases. For strong interactions, the system eventually becomes a Mott insulator.

cond-mat.str-el↗

Topological nature and the multiple Dirac cones hidden in Bismuth high-Tc superconductors

Recent theoretical studies employing density-functional theory have predicted BaBiO$_{3}$ (when doped with electrons) and YBiO$_{3}$ to become a topological insulator (TI) with a large topological gap (~ 0.7 eV). This, together with the natural stability against surface oxidation, makes the Bismuth-Oxide family of special interest for possible applications in quantum information and spintronics. The central question, we study here, is whether the hole-doped Bismuth Oxides, i.e. Ba$_{1-x}$K$_{x}$BiO$_{3}$ and BaPb$_{1-x}$Bi$_{x}$O$_{3}$, which are "high-Tc" bulk superconducting near 30 K, additionally display in the further vicinity of their Fermi energy $E_{F}$ a topological gap with a Dirac-type of topological surface state. Our electronic structure calculations predict the K-doped family to emerge as a TI, with a topological gap above $E_{F}$. Thus, these compounds can become superconductors with hole-doping and potential TIs with additional electron doping. Furthermore, we predict the Bismuth-Oxide family to contain an additional Dirac cone below $E_{F}$ for further hole doping, which manifests these systems to be candidates for both electron- and hole-doped topological insulators.

cond-mat.mtrl-sci↗

Accessing topological superconductivity via a combined STM and renormalization group analysis

The search for topological superconductors has recently become a key issue in condensed matter physics, because of their possible relevance to provide a platform for Majorana bound states, non-Abelian statistics, and fault-tolerant quantum computing. We propose a new scheme which links as directly as possible the experimental search to a material-based microscopic theory for topological superconductivity. For this, the analysis of scanning tunneling microscopy, which typically uses a phenomenological ansatz for the superconductor gap functions, is elevated to a theory, where a multi-orbital functional renormalization group analysis allows for an unbiased microscopic determination of the material-dependent pairing potentials. The combined approach is highlighted for paradigmatic hexagonal systems, such as doped graphene and water-intercalated sodium cobaltates, where lattice symmetry and electronic correlations yield a propensity for a chiral singlet topological superconductor state. We demonstrate that our microscopic material-oriented procedure is necessary to uniquely resolve a topological superconductor state.

cond-mat.supr-con↗

Triangular Spin-Orbit-Coupled Lattice with Strong Coulomb Correlations: Sn Atoms on a SiC(0001) Substrate

Two-dimensional (2D) atom lattices provide model setups for Coulomb correlations inducing competing ground states, partly with topological character. Hexagonal SiC(0001) is an intriguing wide-gap substrate, spectroscopically separated from the overlayer and hence reduced screening. We report the first study of an artificial high-Z atom lattice on SiC(0001) by Sn adatoms, based on combined experimental realization and theoretical modeling. Density-functional theory of our $\sqrt{3}$-structure model closely reproduces the scanning tunneling microscopy. Instead of metallic behavior, photoemission data show a deeply gapped state (~2 eV gap). Based on our calculations including dynamic mean-field theory, we argue that this reflects a pronounced Mott insulating scenario. We also find indications that the system is susceptible to antiferromagnetic superstructures. Such spin-orbit-coupled correlated heavy atom lattices on SiC(0001) thus form a novel testbed for peculiar quantum states of matter, with potential bearing for spin liquids and topological Mott insulators.

cond-mat.str-el↗

Chiral $d$-wave Superconductivity in SrPtAs

Recent $μ$SR measurements on SrPtAs revealed time-reversal-symmetry breaking with the onset of superconductivity [Biswas et al., Phys. Rev. B 87, 180503(R) (2013)], suggesting an unconventional superconducting state. We investigate this possibility via functional renormalization group and find a chiral $(d+\mathrm{i}d)$-wave order parameter favored by the multiband fermiology and hexagonal symmetry of SrPtAs. This $(d+\mathrm{i}d)$-wave state exhibits significant gap anisotropies as well as gap differences on the different bands, but only has point nodes on one of the bands at the Brillouin zone corners. We study the topological characteristics of this superconducting phase, which features Majorana-Weyl nodes in the bulk, protected surface states, and an associated thermal Hall response. The lack of extended nodes and the spontaneously broken time-reversal symmetry of the $(d+\mathrm{i}d)$-wave state are in agreement with the $μ$SR experiments. Our theoretical findings together with the experimental evidence thus suggests that SrPtAs is the first example of chiral $d$-wave superconductivity.

cond-mat.supr-con↗

Functional Renormalization Group for multi-orbital Fermi Surface Instabilities

Technological progress in material synthesis, as well as artificial realization of condensed matter scenarios via ultra-cold atomic gases in optical lattices or epitaxial growth of thin films, is opening the gate to investigate a plethora of unprecedented strongly correlated electron systems. In a large subclass thereof, a metallic state of layered electrons undergoes an ordering transition below some temperature into unconventional states of matter driven by electronic correlations, such as magnetism, superconductivity, or other Fermi surface instabilities. While this type of phenomena has been a well-established direction of research in condensed matter for decades, the variety of today's accessible scenarios pose fundamental new challenges to describe them. A core complication is the multi-orbital nature of the low-energy electronic structure of these systems, such as the multi-d orbital nature of electrons in iron pnictides and transition-metal oxides in general, but also electronic states of matter on lattices with multiple sites per unit cell such as the honeycomb or kagome lattice. In this review, we propagate the functional renormalization group (FRG) as a suited approach to investigate multi-orbital Fermi surface instabilities. The primary goal of the review is to describe the FRG in explicit detail and render it accessible to everyone both at a technical and intuitive level. Summarizing recent progress in the field of multi-orbital Fermi surface instabilities, we illustrate how the unbiased fashion by which the FRG treats all kinds of ordering tendencies guarantees an adequate description of electronic phase diagrams and often allows to obtain parameter trends of sufficient accuracy to make qualitative predictions for experiments. This review includes detailed and illustrative illustrations of magnetism and, in particular, superconductivity for the iron pnictides from the viewpoint of FRG. Furthermore, it discusses candidate scenarios for topological bulk singlet superconductivity and exotic particle-hole condensates on hexagonal lattices such as sodium-doped cobaltates, graphene doped to van Hove Filling, and the kagome Hubbard model. In total, the FRG promises to be one of the most versatile and revealing numerical approaches to address unconventional Fermi surface instabilities in future fields of condensed matter research.

cond-mat.supr-con↗

Anisotropic chiral d+id superconductivity in NaxCoO2 yH2O

Since its discovery, the superconducting phase in water-intercalated sodium cobaltates NaxCoO2 yH2O (x~0.3, y~1.3) has posed fundamental challenges in terms of experimental investigation and theoretical understanding. By a combined dynamical mean-field and renormalization group approach, we find an anisotropic chiral d+id wave state as a consequence of multi-orbital effects, Fermi surface topology, and magnetic fluctuations. It naturally explains the singlet property and close-to-nodal gap features of the superconducting phase as indicated by experiments.

cond-mat.supr-con↗

Competing phases of the Hubbard model on a triangular lattice -- insights from the entropy

Based on the ladder dual-fermion approach, we present a comprehensive study of the phases of the isotropic Hubbard model on the triangular lattice. We find a rich phase diagram containing most of the phases that have already been experimentally observed in systems where the interplay between geometric frustration and electronic correlations is important: paramagnetic metal, paramagnetic insulator, Mott-insulator with $120^{\circ}$ antiferromagnetic and a non-magnetic insulating state, i.e. possibly a spin liquid state. This establishes that the Hubbard model on frustrated lattices can serve as a minimal model to address the intricate interplay of frustration and correlation. We also show that entropic considerations can be successfully used for understanding many striking features of the triangular systems, such as the large thermopower found in Na$_{x}$CoO$_{2}\cdot$$y$H$_{2}$O.

cond-mat.str-el↗

Efficient treatment of the high-frequency tail of the self-energy function and its relevance for multi-orbital models

In this paper, we present an efficient and stable method to determine the one-particle Green's function in the hybridization-expansion continuous-time (CT-HYB) quantum Monte Carlo method, within the framework of the dynamical mean-field theory. The high-frequency tail of the impurity self-energy is replaced with a noise-free function determined by a dual-expansion around the atomic limit. This method does not depend on the explicit form of the interaction term. More advantageous, it does not introduce any additional numerical cost to the CT-HYB simulation. We discuss the symmetries of the two-particle vertex, which can be used to optimize the simulation of the four-point correlation functions in the CT-HYB. Here, we adopt it to accelerate the dual-expansion calculation, which turns out to be especially suitable for the study of material systems with complicated band structures. As an application, a two-orbital Anderson impurity model with a general on-site interaction form is studied. The phase diagram is extracted as a function of the Coulomb interactions for two different Hund's coupling strengths. In the presence of the hybridization between different orbitals, for smaller interaction strengths, this model shows a transition from metal to band-insulator. Increasing the interaction strengths, this transition is replaced by a crossover from Mott insulator to band-insulator behavior.

cond-mat.str-el↗

Three-Dimensional Spin Rotations at the Fermi Surface of a Strongly Spin-Orbit Coupled Surface System

The spin texture of the metallic two-dimensional electron system (root3 x root3)-Au/Ge(111) is revealed by fully three-dimensional spin-resolved photoemission, as well as by density functional calculations. The large hexagonal Fermi surface, generated by the Au atoms, shows a significant splitting due to spin-orbit interactions. The planar components of the spin exhibit helical character, accompanied by a strong out-of-plane spin component with alternating signs along the six Fermi surface sections. Moreover, in-plane spin rotations towards a radial direction are observed close to the hexagon corners. Such a threefold-symmetric spin pattern is not described by the conventional Rashba model. Instead, it reveals an interplay with Dresselhaus-like spin-orbit effects as a result of the crystalline anisotropies.

cond-mat.str-el↗

Exotic d-wave superconductivity in strongly hole doped K(x)Ba(1-x)Fe2As2

We investigate the superconducting phase in the K(x)Ba(1-x)Fe2As2 122 compounds from moderate to strong hole-doping regimes. Using functional renormalization group, we show that while the system develops a nodeless anisotropic s+- order parameter in the moderately doped regime, gapping out the electron pockets at strong hole doping drives the system into a nodal cos (kx) cos (ky) d-wave superconducting state. This is in agreement with recent experimental evidence from measurements on KFe2As2 which see a nodal order parameter in the extreme doping regime. The magnetic instability is strongly suppressed. The case of only hole pockets present is argued to be structurally similar to the case of only electron pockets present as indicated for KxFe2Se2.

cond-mat.supr-con↗

Magnetic-Order Induced Spectral-Weight Redistribution in a Triangular Surface System

The Sn-induced $\sqrt3 \times \sqrt3$ surface reconstruction on Si(111) has been investigated by material-specific many-body calculations and by angle-resolved photoelectron spectroscopy (ARPES). This triangular surface system in the low adatom coverage regime is governed by rather localized dangling bond orbitals with enhanced electronic correlations and it is prone to exhibit magnetic frustration. We find a rather good overall agreement of the spectral function and its temperature-dependence between theory and experiment. Changes in the ARPES band topology in comparison to the density functional calculations can be explained as a spectral weight redistribution with respect to an additional symmetry which is not due to any geometrical change. This new symmetry corresponds to a magnetic order, which is found to be more complex than the canonical $120^{\circ}$ anti-ferromagnetic order on a triangular lattice with nearest-neighbor coupling only.

cond-mat.str-el↗

Competing many-body instabilities and unconventional superconductivity in graphene

The band structure of graphene exhibits van Hove singularities (VHS) at doping x=+- 1/8 away from the Dirac point. Near the VHS, interactions effects, enhanced due to the large density of states, can give rise to various many-body phases at experimentally accessible temperatures. We study the competition between different many-body instabilities in graphene using functional renormalization group (FRG). We predict a rich phase diagram, which, depending on long range hopping as well as screening strength and absolute scale of the Coulomb interaction, contains a d+id-wave superconducting (SC) phase, or a spin density wave phase at the VHS. The d+id state is expected to exhibit quantized charge and spin Hall response, as well as Majorana modes bound to vortices. In the vicinity of the VHS, we find singlet d+id-wave as well as triplet f-wave SC phases.

cond-mat.supr-con↗

Mechanism for a Pairing State with Time-Reversal Symmetry Breaking in Iron-Based Superconductors

The multipocket Fermi surfaces of iron-based superconductors promote pairing states with both s_{+-}-wave and d_{x^2-y^2}-wave symmetry. We argue that the competition between these two order parameters could lead to a time-reversal-symmetry breaking state with s+id-pairing symmetry in the iron-based superconductors, and propose serveral scenarios in which this phase may be found. To understand the emergence of such a pairing state on a more rigorous footing, we start from a microscopic 5-orbital description representative for the pnictides. Using a combined approach of functional renormalization group and mean-field analysis, we identify the microscopic parameters of the s+id-pairing state. There, we find the most promising region for s+id-pairing in the electron doped regime with an enhanced pnictogen height.

cond-mat.supr-con↗

From density functional theory to the functional renormalization group: superconductivity in the iron pnictide LiFeAs

A combined density functional theory and functional renormalization group method is introduced which takes into account orbital-dependent interaction parameters to derive the effective low-energy theory of weakly to intermediately correlated Fermi systems. As an application, the competing fluctuations in LiFeAs are investigated, which is the main representative of the 111 class of iron pnictides displaying no magnetic order, but superconductivity, for the parent compound. The superconducting order parameter is found to be of s+- type driven by collinear antiferromagnetic fluctuations. They eventually exceed the ferromagnetic fluctuations stemming from the small hole pocket at the Gamma point, as the system flows to low energies.

cond-mat.supr-con↗

Order-Parameter Anisotropies in the Pnictides - An Optimization Principle for Multi-Band Superconductivity

Using general arguments of an optimization taking place between the pair wave function and the repulsive part of the electron-electron interaction, we analyze the superconducting gap in materials with multiple Fermi-surface (FS) pockets, with exemplary application to two proto-type ferropnictide setups. On the basis of functional renormalization group (FRG) calculations for a wide parameter span of the bare interactions, we show that the symmetry of the gap and the nodal versus nodeless behavior is driven by this optimization requirement.

cond-mat.supr-con↗

Importance of local correlations for the order parameter of high-Tc superconductors

It is shown that local temporal correlations in addition to non-local spatial correlations are important to understand the size and the doping dependence of the d-wave superconducting order parameter of high-temperature superconductors. To this end, the hole- and electron-doped two-dimensional Hubbard model at zero temperature is considered and treated by an extension of the variational cluster approximation. Within this approach, the effects of temporal correlations can be studied systematically and in a thermodynamically consistent way by comparing results obtained from different reference clusters. Contact can be made with previous cellular (plaquette) dynamical mean-field calculations. This shows that temporal correlations considerably decrease the order parameter and provide a substantial gain of binding energy. Besides, a few methodical insights regarding real-space quantum-cluster approaches are obtained in addition.

cond-mat.str-el↗