arXiv subjects

B. Andrei Bernevig

Publications and source records attributed to B. Andrei Bernevig.

At least 199 records · Page 11Linked to original sources

arXiv2018

Topology of Disconnected Elementary Band Representations

Elementary band representations are the fundamental building blocks of atomic limit band structures. They have the defining property that at partial filling they cannot be both gapped and trivial. Here, we give two examples -- one each in a symmorphic and a non-symmorphic space group -- of elementary band representations realized with an energy gap. In doing so, we explicitly construct a counterexample to a claim by Michel and Zak that single-valued elementary band representations in non-symmorphic space groups with time-reversal symmetry are connected. For each example, we construct a topological invariant to explicitly demonstrate that the valence bands are non-trivial. We discover a new topological invariant: a movable but unremovable Dirac cone in the "Wilson Hamiltonian" and a bent-Z2 index.

cond-mat.mes-hall↗

arXiv2018

Higher-Order Topological Insulators

Three-dimensional topological (crystalline) insulators are materials with an insulating bulk, but conducting surface states which are topologically protected by time-reversal (or spatial) symmetries. Here, we extend the notion of three-dimensional topological insulators to systems that host no gapless surface states, but exhibit topologically protected gapless hinge states. Their topological character is protected by spatio-temporal symmetries, of which we present two cases: (1) Chiral higher-order topological insulators protected by the combination of time-reversal and a four-fold rotation symmetry. Their hinge states are chiral modes and the bulk topology is $\mathbb{Z}_2$-classified. (2) Helical higher-order topological insulators protected by time-reversal and mirror symmetries. Their hinge states come in Kramers pairs and the bulk topology is $\mathbb{Z}$-classified. We provide the topological invariants for both cases. Furthermore we show that SnTe as well as surface-modified Bi$_2$TeI, BiSe, and BiTe are helical higher-order topological insulators and propose a realistic experimental setup to detect the hinge states.

cond-mat.mes-hall↗

arXiv2018

Structure of the Entanglement Entropy of (3+1)D Gapped Phases of Matter

We study the entanglement entropy of gapped phases of matter in three spatial dimensions. We focus in particular on size-independent contributions to the entropy across entanglement surfaces of arbitrary topologies. We show that for low energy fixed-point theories, the constant part of the entanglement entropy across any surface can be reduced to a linear combination of the entropies across a sphere and a torus. We first derive our results using strong sub-additivity inequalities along with assumptions about the entanglement entropy of fixed-point models, and identify the topological contribution by considering the renormalization group flow; in this way we give an explicit definition of topological entanglement entropy $S_{\mathrm{topo}}$ in (3+1)D, which sharpens previous results. We illustrate our results using several concrete examples and independent calculations, and show adding "twist" terms to the Lagrangian can change $S_{\mathrm{topo}}$ in (3+1)D. For the generalized Walker-Wang models, we find that the ground state degeneracy on a 3-torus is given by $\exp(-3S_{\mathrm{topo}}[T^2])$ in terms of the topological entanglement entropy across a 2-torus. We conjecture that a similar relationship holds for Abelian theories in $(d+1)$ dimensional spacetime, with the ground state degeneracy on the $d$-torus given by $\exp(-dS_{\mathrm{topo}}[T^{d-1}])$.

cond-mat.str-el↗

arXiv2018

Entanglement Entropy From Tensor Network States for Stabilizer Codes

In this paper, we present the construction of tensor network states (TNS) for some of the degenerate ground states of 3D stabilizer codes. We then use the TNS formalism to obtain the entanglement spectrum and entropy of these ground-states for some special cuts. In particular, we work out the examples of the 3D toric code, the X-cube model and the Haah code. The latter two models belong to the category of "fracton" models proposed recently, while the first one belongs to the conventional topological phases. We mention the cases for which the entanglement entropy and spectrum can be calculated exactly: for these, the constructed TNS is the singular value decomposition (SVD) of the ground states with respect to particular entanglement cuts. Apart from the area law, the entanglement entropies also have constant and linear corrections for the fracton models, while the entanglement entropies for the toric code models only have constant corrections. For the cuts we consider, the entanglement spectra of these three models are completely flat. We also conjecture that the negative linear correction to the area law is a signature of extensive ground state degeneracy. Moreover, the transfer matrices of these TNS can be constructed. We show that the transfer matrices are projectors whose eigenvalues are either 1 or 0. The number of nonzero eigenvalues is tightly related to the ground state degeneracy.

cond-mat.str-el↗

arXiv2018

Matrix Product State description of the Halperin States

Many fractional quantum Hall states can be expressed as a correlator of a given conformal field theory used to describe their edge physics. As a consequence, these states admit an economical representation as an exact Matrix Product States (MPS) that was extensively studied for the systems without any spin or any other internal degrees of freedom. In that case, the correlators are built from a single electronic operator, which is primary with respect to the underlying conformal field theory. We generalize this construction to the archetype of Abelian multicomponent fractional quantum Hall wavefunctions, the Halperin states. These latest can be written as conformal blocks involving multiple electronic operators and we explicitly derive their exact MPS representation. In particular, we deal with the caveat of the full wavefunction symmetry and show that any additional SU(2) symmetry is preserved by the natural MPS truncation scheme provided by the conformal dimension. We use our method to characterize the topological order of the Halperin states by extracting the topological entanglement entropy. We also evaluate their bulk correlation length which are compared to plasma analogy arguments.

cond-mat.str-el↗

arXiv2018

Building Blocks of Topological Quantum Chemistry: Elementary Band Representations

The link between chemical orbitals described by local degrees of freedom and band theory, which is defined in momentum space, was proposed by Zak several decades ago for spinless systems with and without time-reversal in his theory of "elementary" band representations. In Nature 547, 298-305 (2017), we introduced the generalization of this theory to the experimentally relevant situation of spin-orbit coupled systems with time-reversal symmetry and proved that all bands that do not transform as band representations are topological. Here, we give the full details of this construction. We prove that elementary band representations are either connected as bands in the Brillouin zone and are described by localized Wannier orbitals respecting the symmetries of the lattice (including time-reversal when applicable), or, if disconnected, describe topological insulators. We then show how to generate a band representation from a particular Wyckoff position and determine which Wyckoff positions generate elementary band representations for all space groups. This theory applies to spinful and spinless systems, in all dimensions, with and without time reversal. We introduce a homotopic notion of equivalence and show that it results in a finer classification of topological phases than approaches based only on the symmetry of wavefunctions at special points in the Brillouin zone. Utilizing a mapping of the band connectivity into a graph theory problem, which we introduced in Nature 547, 298-305 (2017), we show in companion papers which Wyckoff positions can generate disconnected elementary band representations, furnishing a natural avenue for a systematic materials search.

cond-mat.mes-hall↗

arXiv2017

Entanglement of Exact Excited Eigenstates of the Hubbard Model in Arbitrary Dimension

We compute exactly the von Neumann entanglement entropy of the eta-pairing states - a large set of exact excited eigenstates of the Hubbard Hamiltonian. For the singlet eta-pairing states the entropy scales with the logarithm of the spatial dimension of the (smaller) partition. For the eta-pairing states with finite spin magnetization density, the leading term can scale as the volume or as the area-times-log, depending on the momentum space occupation of the Fermions with flipped spins. We also compute the corrections to the leading scaling. In order to study the eigenstate thermalization hypothesis (ETH), we also compute the entanglement Renyi entropies of such states and compare them with the corresponding entropies of thermal density matrix in various ensembles. Such states, which we find violate strong ETH, may provide a useful platform for a detailed study of the time-dependence of the onset of thermalization due to perturbations which violate the total pseudospin conservation.

cond-mat.str-el↗

arXiv2017

Distinguishing a Majorana zero mode using spin resolved measurements

One-dimensional topological superconductors host Majorana zero modes (MZMs), the non-local property of which could be exploited for quantum computing applications. Spin- polarized scanning tunneling microscopy measurements show that MZMs realized in self- assembled Fe chains on the surface of Pb have a spin polarization that exceeds that due to the magnetism of these chains. This feature, captured by our model calculations, is a direct consequence of the nonlocality of the Hilbert space of MZMs emerging from a topological band structure. Our study establishes spin polarization measurements as a diagnostic tool to uniquely distinguish topological MZMs from trivial in-gap states of a superconductor.

cond-mat.mes-hall↗

arXiv2017

Double crystallographic groups and their representations on the Bilbao Crystallographic Server

A new section of databases and programs devoted to double crystallographic groups (point and space groups) has been implemented in the Bilbao Crystallographic Server (http://www.cryst.ehu.es). The double crystallographic groups are required in the study of physical systems whose Hamiltonian includes spin-dependent terms. In the symmetry analysis of such systems, instead of the irreducible representations of the space groups, it is necessary to consider the single- and double-valued irreducible representations of the double space groups. The new section includes databases of symmetry operations (DGENPOS) and of irreducible representations of the double (point and space) groups (REPRESENTATIONS DPG and REPRESENTATIONS DSG). The tool DCOMPATIBILITY RELATIONS provides compatibility relations between the irreducible representations of double space groups at different k-vectors of the Brillouin zone when there is a group-subgroup relation between the corresponding little groups. The program DSITESYM implements the so-called site-symmetry approach, which establishes symmetry relations between localized and extended crystal states, using representations of the double groups. As an application of this approach, the program BANDREP calculates the band representations and the elementary band representations induced from any Wyckoff position of any of the 230 double space groups, giving information about the properties of these bands. Recently, the results of BANDREP have been extensively applied in the description and the search of topological insulators.

cond-mat.mes-hall↗

arXiv2017

The Majorana spin in magnetic atomic chain systems

In this paper, we establish that Majorana zero modes emerging from a topological band structure of a chain of magnetic atoms embedded in a superconductor can be distinguished from trivial localized zero energy states that may accidentally form in this system using spin resolved measurements. To demonstrate this key Majorana diagnostics, we study the spin composition of magnetic impurity induced in-gap Shiba states in a superconductor using a quantum impurity model (at the mean-field level). By examining the spin and spectral densities in the context of the Bogoliubov-de Gennes (BdG) particle-hole symmetry, we derive a sum rule that relates the spin densities of localized Shiba states with those in the normal state without superconductivity. Extending our investigations to ferromagnetic chain of magnetic impurities, we identify key features of the spin properties of the extended Shiba state bands, as well as those associated with a localized Majorana end mode when the effect of spin-orbit interaction is included. We then formulate a phenomenological theory for the measurement of the local spin densities with spin-polarized scanning tunneling microscopy (STM) techniques. By combining the calculated spin densities and the measurement theory, we show that spin-polarized STM measurements can reveal a sharp contrast in spin polarization between an accidentally-zero-energy trivial Shiba state and a Majorana zero mode in a topological superconducting phase in atomic chains. We further confirm our results with numerical simulations that address generic parameter settings.

cond-mat.mes-hall↗

arXiv2017

Electric Multipole Moments, Topological Multipole Moment Pumping, and Chiral Hinge States in Crystalline Insulators

We extend the theory of dipole moments in crystalline insulators to higher multipole moments. In this paper, we expand in great detail the theory presented in Ref. 1, and extend it to cover associated topological pumping phenomena, and a novel class of 3D insulator with chiral hinge states. In quantum-mechanical crystalline insulators, higher multipole bulk moments manifest themselves by the presence of boundary-localized moments of lower dimension, in exact correspondence with the electromagnetic theory of classical continuous dielectrics. In the presence of certain symmetries, these moments are quantized, and their boundary signatures are fractionalized. These multipole moments then correspond to new SPT phases. The topological structure of these phases is described by "nested" Wilson loops, which reflect the bulk-boundary correspondence in a way that makes evident a hierarchical classification of the multipole moments. Just as a varying dipole generates charge pumping, a varying quadrupole generates dipole pumping, and a varying octupole generates quadrupole pumping. For non-trivial adiabatic cycles, the transport of these moments is quantized. An analysis of these interconnected phenomena leads to the conclusion that a new kind of Chern-type insulator exists, which has chiral, hinge-localized modes in 3D. We provide the minimal models for the quantized multipole moments, the non-trivial pumping processes and the hinge Chern insulator, and describe the topological invariants that protect them.

cond-mat.mes-hall↗

arXiv2017

Graph Theory Data for Topological Quantum Chemistry

Topological phases of noninteracting particles are distinguished by global properties of their band structure and eigenfunctions in momentum space. On the other hand, group theory as conventionally applied to solid-state physics focuses only on properties which are local (at high symmetry points, lines, and planes) in the Brillouin zone. To bridge this gap, we have previously [B. Bradlyn et al., Nature 547, 298--305 (2017)] mapped the problem of constructing global band structures out of local data to a graph construction problem. In this paper, we provide the explicit data and formulate the necessary algorithms to produce all topologically distinct graphs. Furthermore, we show how to apply these algorithms to certain "elementary" band structures highlighted in the aforementioned reference, and so identified and tabulated all orbital types and lattices that can give rise to topologically disconnected band structures. Finally, we show how to use the newly developed BANDREP program on the Bilbao Crystallographic Server to access the results of our computation.

cond-mat.mes-hall↗

arXiv2017

Topological quantum chemistry

The past decade's apparent success in predicting and experimentally discovering distinct classes of topological insulators (TIs) and semimetals masks a fundamental shortcoming: out of 200,000 stoichiometric compounds extant in material databases, only several hundred of them are topologically nontrivial. Are TIs that esoteric, or does this reflect a fundamental problem with the current piecemeal approach to finding them? To address this, we propose a new and complete electronic band theory that highlights the link between topology and local chemical bonding, and combines this with the conventional band theory of electrons. Topological Quantum Chemistry is a description of the universal global properties of all possible band structures and materials, comprised of a graph theoretical description of momentum space and a dual group theoretical description in real space. We classify the possible band structures for all 230 crystal symmetry groups that arise from local atomic orbitals, and show which are topologically nontrivial. We show how our topological band theory sheds new light on known TIs, and demonstrate the power of our method to predict a plethora of new TIs.

cond-mat.mes-hall↗

arXiv2017

Quantized Electric Multipole Insulators

In this article we extend the celebrated Berry-phase formulation of electric polarization in crystals to higher electric multipole moments. We determine the necessary conditions under which, and minimal models in which, the quadrupole and octupole moments are topologically quantized electromagnetic observables. Such systems exhibit gapped boundaries that are themselves lower-dimensional topological phases. Furthermore, they manifest topologically protected corner states carrying fractional charge, i.e., fractionalization at the boundary of the boundary. To characterize these new insulating phases of matter, we introduce a new paradigm whereby `nested' Wilson loops give rise to a large number of new topological invariants that have been previously overlooked. We propose three realistic experimental implementations of this new topological behavior that can be immediately tested.

cond-mat.str-el↗

arXiv2017

Topological crystalline superconductors with linearly and projectively represented $C_{n}$ symmetry

We study superconductors with $n$-fold rotational invariance both in the presence and in the absence of spin-orbit interactions. More specifically, we classify the non-interacting Hamiltonians by defining a series of $Z$-numbers for the Bogoliubov-de Gennes (BdG) symmetry classes of the Altland-Zimbauer classification of random matrices in $1$D, $2$D, and $3$D in the presence of discrete rotational invariance. Our analysis emphasizes the important role played by the angular momentum of the Cooper pairs in the system: for pairings of nonzero angular momentum, the rotation symmetry may be represented projectively, and a projective representation of rotation symmetry may have anomalous properties, including the anti-commutation with the time-reversal symmetry. In 1D and 3D, we show how an $n$-fold axis enhances the topological classification and give additional topological numbers; in 2D, we establish a relation between the Chern number (in class D and CI) and the eigenvalues of rotation symmetry at high-symmetry points. For each nontrivial class in 3D, we write down a minimal effective theory for the surface Majorana states.

cond-mat.supr-con↗

arXiv2016

Time-Reversal-Breaking Weyl Fermions in Magnetic Heusler Alloys

Weyl fermions have recently been observed in several time-reversal-invariant semimetals and photonics materials with broken inversion symmetry. These systems are expected to have exotic transport properties such as the chiral anomaly. However, most discovered Weyl materials possess a substantial number of Weyl nodes close to the Fermi level that give rise to complicated transport properties. Here we predict, for the first time, a new family of Weyl systems defined by broken time-reversal symmetry, namely, Co-based magnetic Heusler materials XCo2Z (X = IVB or VB; Z = IVA or IIIA). To search for Weyl fermions in the centrosymmetric magnetic systems, we recall an easy and practical inversion invariant, which has been calculated to be -1, guaranteeing the existence of an odd number of pairs of Weyl fermions. These materials exhibit, when alloyed, only two Weyl nodes at the Fermi level - the minimum number possible in a condensed matter system. The Weyl nodes are protected by the rotational symmetry along the magnetic axis and separated by a large distance (of order 2$π$) in the Brillouin zone. The corresponding Fermi arcs have been calculated as well. This discovery provides a realistic and promising platform for manipulating and studying the magnetic Weyl physics in experiments.

cond-mat.mtrl-sci↗

arXiv2016

Z2Pack: Numerical Implementation of Hybrid Wannier Centers for Identifying Topological Materials

The intense theoretical and experimental interest in topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently, identifying band topologies has become an important, but often challenging problem, with no exhaustive solution at the present time. In this work we compile a series of techniques, some previously known, that allow for a solution to this problem for a large set of the possible band topologies. The method is based on tracking hybrid Wannier charge centers computed for relevant Bloch states, and it works at all levels of materials modeling: continuous k.p models, tight-binding models and ab initio calculations. We apply the method to compute and identify Chern, Z2 and crystalline topological insulators, as well as topological semimetal phases, using real material examples. Moreover, we provide a numerical implementation of this technique (the Z2Pack software package) that is ideally suited for high-throughput screening of materials databases for compounds with non-trivial topologies. We expect that our work will allow researchers to: (a) identify topological materials optimal for experimental probes, (b) classify existing compounds and (c) reveal materials that host novel, not yet described, topological states.

cond-mat.mtrl-sci↗

arXiv2016

High-resolution studies of the Majorana atomic chain platform

Ordered assemblies of magnetic atoms on the surface of conventional superconductors can be used to engineer topological superconducting phases and realize Majorana fermion quasiparticles (MQPs) in a condensed matter setting. Recent experiments have shown that chains of Fe atoms on Pb generically have the required electronic characteristics to form a 1D topological superconductor and have revealed spatially resolved signatures of localized MQPs at the ends of such chains. Here we report higher resolution measurements of the same atomic chain system performed using a dilution refrigerator scanning tunneling microscope (STM). With significantly better energy resolution than previous studies, we show that the zero bias peak (ZBP) in Fe chains has no detectable splitting from hybridization with other states. The measurements also reveal that the ZBP exhibits a distinctive 'double eye' spatial pattern on nanometer length scales. Theoretically we show that this is a general consequence of STM measurements of MQPs with substantial spectral weight in the superconducting substrate, a conclusion further supported by measurements of Pb overlayers deposited on top of the Fe chains. Finally, we report experiments performed with superconducting tips in search of the particle-hole symmetric MQP signature expected in such measurements.

cond-mat.mes-hall↗