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arXiv:1405.6641 · Physical Review B

Search for localized Wannier functions of topological band structures via compressed sensing

Jan Carl Budich, Jens Eisert, Emil J. Bergholtz, Sebastian Diehl, P. Zoller

Published Sep 4, 2014• 16 citations
arXivHTMLPDF

Abstract

We investigate the interplay of band structure topology and localization properties of Wannier functions. To this end, we extend a recently proposed compressed sensing based paradigm for the search for maximally localized Wannier functions [Ozolins et al., Proc. Natl. Acad. Sci. USA 110, 18368 (2013)]. We develop a practical toolbox that enables the search for maximally localized Wannier functions which exactly obey the underlying physical symmetries of a translationally invariant quantum lattice system under investigation. Most saliently, this allows us to systematically identify the most localized representative of a topological equivalence class of band structures, i.e., the most localized set of Wannier functions that is adiabatically connected to a generic initial representative. We also elaborate on the compressed sensing scheme and find a particularly simple and efficient implementation in which each step of the iteration is an $O(NlogN)$ algorithm in the number of lattice sites $N$. We present benchmark results on one-dimensional topological superconductors demonstrating the power of these tools. Furthermore, we employ our method to address the open question of whether compact Wannier functions can exist for symmetry-protected topological states such as topological insulators in two dimensions. The existence of such functions would imply exact flat-band models with finite range hopping. Here, we find numerical evidence for the absence of such functions. We briefly discuss applications in dissipative-state preparation and in devising variational sets of states for tensor network methods.

DOI
10.1103/physrevb.90.115110

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We investigate the interplay of band structure topology and localization properties of Wannier functions. To this end, we extend a recently proposed compressed sensing based paradigm for the search for maximally localized Wannier functions [Ozolins et al., Proc. Natl. Acad. Sci. USA 110, 18368 (2013)]. We develop a practical toolbox that enables the search for maximally localized Wannier functions which exactly obey the underlying physical symmetries of a translationally invariant quantum lattice system under investigation. Most saliently, this allows us to systematically identify the most localized representative of a topological equivalence class of band structures, i.e., the most localized set of Wannier functions that is adiabatically connected to a generic initial representative. We also elaborate on the compressed sensing scheme and find a particularly simple and efficient implementation in which each step of the iteration is an O(NlogN)O(NlogN)O(NlogN) algorithm in the number of lattice sites NNN. We present benchmark results on one-dimensional topological superconductors demonstrating the power of these tools. Furthermore, we employ our method to address the open question of whether compact Wannier functions can exist for symmetry-protected topological states such as topological insulators in two dimensions. The existence of such functions would imply exact flat-band models with finite range hopping. Here, we find numerical evidence for the absence of such functions. We briefly discuss applications in dissipative-state preparation and in devising variational sets of states for tensor network methods.
In a tight-binding lattice model with nnn orbitals (single-particle states) per site, Wannier functions are nnn-component vector functions of position that fall off rapidly away from some location, and such that a set of them in some sense span all states in a given energy band or set of bands; compactly supported Wannier functions are such functions that vanish outside a bounded region. They arise not only in band theory, but also in connection with tensor-network states for noninteracting fermion systems, and for flat-band Hamiltonians with strictly short-range hopping matrix elements. In earlier work, it was proved that for general complex band structures (vector bundles) or general complex Hamiltonians---that is, class A in the tenfold classification of Hamiltonians and band structures---a set of compactly supported Wannier functions can span the vector bundle only if the bundle is topologically trivial, in any dimension ddd of space, even when use of an overcomplete set of such functions is permitted. This implied that, for a free-fermion tensor network state with a nontrivial bundle in class A, any strictly short-range parent Hamiltonian must be gapless. Here, this result is extended to all ten symmetry classes of band structures without additional crystallographic symmetries, with the result that in general the nontrivial bundles that can arise from compactly supported Wannier-type functions are those that may possess, in each of ddd directions, the nontrivial winding that can occur in the same symmetry class in one dimension, but nothing else. The results are obtained from a very natural usage of algebraic KKK-theory, based on a ring of polynomials in ${e}^{\ifmmode\pm\else\textpm\fi{}i{k}_{x}},\phantom{\rule{0.16em}{0ex}}{e}^{\ifmmode\pm\else\textpm\fi{}i{k}_{y}},...,$ which occur as entries in the Fourier-transformed Wannier functions.
Topological flat bands (FBs) offer an ideal platform for realizing exotic topological phases and exploring quantum geometric effects, yet their realization with both exact flatness and stable topology in local lattice models has been hindered by fundamental no-go theorems. The obstruction is also manifested as the absence of exact Gaussian TNS representations for topological insulators and superconductors. Here, we overcome this barrier by demonstrating the existence of critical topological FBs (CTFBs) in finite-range hopping models. They saturate the no-go theorems via a unique structure of Bloch wavefunctions: While continuous over the whole Brillouin zone, the projector P(k)P(k)P(k) onto FBs is non-analytic at isolated band touching points. Filling such CTFBs yields short-range entangled topological states with power-law correlations due to the non-analyticity. We then establish a general symmetry-based principle to systematically construct CTFBs that carry desired topological invariants in given space groups. It utilizes the bipartite structure and requires no further fine-tuning, and the topology is robust against arbitrary symmetry-preserving gap-opening perturbations. Remarkably, independent tuning of the quantum geometry is allowed. Examples exhibiting Chern numbers 1, 2, 3, 6, in 2D, and strong Z2\mathbb{Z}_2Z2​ indices in 2D and 3D are demonstrated for concreteness. An automated algorithm further identifies more than 50,000 symmetry-indicated CTFBs, including crystalline and higher-order topological ones. In the end, we show that the bipartite structure naturally endows the filled CTFB states with exact TNS representations with finite bond dimensions. By bridging the topological band theory to TNS methods, CTFB provides a novel tractable starting point for exploring strongly correlated topological matter, with potential relevance to realistic material realizations.
Abstract Wannier functions that are maximally localized help in understanding many properties of crystalline materials. In the absence of topological obstructions, they are at least exponentially localized. In some cases such as flat-band Hamiltonians, it is possible to construct Wannier functions that are even more localized, so that they are compactly supported thus having zero support outside their corresponding locations. Under what general conditions is it possible to construct compactly supported Wannier functions? We answer this question in this paper. Specifically, we show that in 1 d non-interacting tight-binding models, strict locality of the projection operator is a necessary and sufficient condition for a subspace to be spanned by a compactly supported orthogonal basis, independent of lattice translation symmetry. For any strictly local projector, we provide a procedure for obtaining such a basis. For higher dimensional systems, we discuss some additional conditions under which an occupied subspace is spanned by a compactly supported orthogonal basis, and show that the corresponding projectors are topologically trivial in many cases. We also show that a projector in arbitrary dimensions is strictly local if and only if for any chosen axis, its image is spanned by hybrid Wannier functions that are compactly supported along that axis.
We study the conditions for Bloch bands to be spanned by symmetric and strictly compact Wannier states that have zero overlap with all lattice sites beyond a certain range. Similar to the characterization of topological insulators in terms of an algebraic (rather than exponential) localization of Wannier states, we find that there may be impediments to the compact localization even of topologically ``trivial'' obstructed atomic insulators. These insulators admit exponentially localized Wannier states centered at unoccupied orbitals of the crystalline lattice. First, we establish a sufficient condition for an insulator to have a compact representative. Second, for C2{\mathcal{C}}_{2}C2​ rotational symmetry, we prove that the complement of fragile topological bands cannot be compact, even if it is an atomic insulator. Third, for C4{\mathcal{C}}_{4}C4​ symmetry, our findings imply that there exist fragile bands with zero correlation length. Fourth, for a C3{\mathcal{C}}_{3}C3​-symmetric atomic insulator, we explicitly derive that there are no compact Wannier states overlapping with less than 18 lattice sites. We conjecture that this obstruction generalizes to all finite Wannier sizes. Our results can be regarded as the stepping stone to a generalized theory of Wannier states beyond dipole or quadrupole polarization.
Abstract The study of topological band insulators has revealed fascinating phases characterized by band topology indices and anomalous boundary modes protected by global symmetries. In strongly correlated systems, where the traditional notion of electronic bands becomes obsolete, it has been established that topological insulator phases persist as stable phases, separate from the trivial insulators. However, due to the inability to express the ground states of such systems as Slater determinants, the formulation of generic variational wave functions for numerical simulations is highly desirable. In this paper, we tackle this challenge for two-dimensional topological insulators by developing a comprehensive framework for fermionic tensor network states. Starting from simple assumptions, we obtain possible sets of tensor equations for any given symmetry group, capturing consistent relations governing symmetry transformation rules on tensor legs. We then examine the connection between these tensor equations and non-chiral topological insulators by constructing edge theories and extracting quantum anomaly data from each set of tensor equations. By exhaustively exploring all possible sets of equations, we achieve a systematic classification of non-chiral topological insulator phases. Imposing the solutions of a given set of equations onto local tensors, we obtain generic variational wavefunctions for the corresponding topological insulator phases. Our methodology provides an important step toward simulating topological insulators in strongly correlated systems. We discuss the limitations and potential generalizations of our results, paving the way for further advancements in this field.
We propose an improved scheme to construct many-body trial wave functions for fractional Chern insulators (FCI), using one-dimensional localized Wannier basis. The procedure borrows from the original scheme on a continuum cylinder, but is adapted to finite-size lattice systems with periodic boundaries. It fixes several issues of the continuum description that made the overlap with the exact ground states insignificant. The constructed lattice states are translationally invariant, and have the correct degeneracy as well as the correct relative and total momenta. Our prescription preserves the (possible) inversion symmetry of the lattice model, and is isotropic in the limit of flat Berry curvature. By relaxing the maximally localized hybrid Wannier orbital prescription, we can form an orthonormal basis of states which, upon gauge fixing, can be used in lieu of the Landau orbitals. We find that the exact ground states of several known FCI models at $\ensuremath{\nu}=1/3$ filling are well captured by the lattice states constructed from the Laughlin wave function. The overlap is higher than 0.990.990.99 in some models when the Hilbert space dimension is as large as $3\ifmmode\times\else\texttimes\fi{}{10}^{4}$ in each total momentum sector.