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Seishiro Ono

Publications and source records attributed to Seishiro Ono.

At least 19 recordsLinked to original sources

Toward bootstrapping tensor-network contractions

Accurate contraction of tensor networks beyond one dimension is essential in various fields including quantum many-body physics. Existing approaches typically rely on approximate contraction schemes and do not provide certified error bars. We introduce a numerical bootstrap framework which casts the problem of tensor-network contractions into a convex optimization problem, thereby yielding certified lower and upper bounds on expectation values of physical observables. As a proof-of-principle, we construct such constraints explicitly for translationally invariant matrix product states and demonstrate that, assuming a canonical form, second-order-cone relaxation can provide tight bounds on the contraction result. We further demonstrate that when the requirement on canonical form is lifted, a more general semidefinite-programming approach could yield similar tight bounds at higher but still polynomial computational cost. Our work suggests numerical bootstrap could be a possible way forward for the rigorous contractions of tensor networks.

cond-mat.str-el

Unitary network: Tensor network unitaries with local unitarity

We introduce unitary network, an oriented architecture for tensor network unitaries. Compared to existing architectures, in a unitary network each local tensor is required to be a unitary matrix upon suitable reshaping. Global unitarity is ensured when the network obeys a suitable ordering property. Unitary operators represented by unitary networks need not preserve locality. In particular, we show that the class of unitary networks encompasses global unitaries which preserve locality up to exponentially suppressed tails, as in those that naturally arise from the finite-time evolution of local Hamiltonians. Non-invertible symmetries, as exemplified by the non-local Kramers-Wannier duality in one dimension, can also be represented using unitary networks. We also show that information flow in a unitary network can be characterized by a flow index, which matches the known index for quantum cellular automata as a special case.

quant-ph

Frustration-free free fermions

We develop a general theory of frustration-free free-fermion systems and derive the necessary and sufficient conditions for such Hamiltonians. Assuming locality and translation invariance, we find that any band touching between the valence and the conduction bands is always quadratic or softer, which rules out the possibility of describing Dirac and Weyl semimetals using frustration-free local Hamiltonians. We further construct a frustration-free free-fermion model on the honeycomb lattice and show that its density fluctuations acquire an anomalous gap originating from the diverging quantum metric associated with the quadratic band-touching points. Nevertheless, an $O(1/L^2)$ finite-size scaling of the charge-neutral excitation gap can be verified even in the presence of interactions, consistent with the more general results we derive in an accompanying work [arXiv:2503.12879].

cond-mat.str-el

Frustration-free free fermions and beyond

Frustration-free Hamiltonians provide pivotal models for understanding quantum many-body systems. In this paper, we establish a general framework for frustration-free fermionic systems. First, we derive a necessary and sufficient condition for a free fermion model to be frustration-free. In the case of translation-invariant, noninteracting systems, we show that any band touching between the valence and conduction bands is at least quadratic. Furthermore, by extending the Gosset-Huang inequality to fermionic systems, we demonstrate that even in interacting and non-translation-invariant cases, the finite-size gap of gapless excitations scales as $O((\log L)^2/L^2)$, provided the ground-state correlation function exhibits a power-law decay. Our results provide a foundation for studying frustration-free fermionic systems, including flat-band ferromagnetism and $\eta$-pairing states.

cond-mat.str-el

Optical response of edge modes in time-reversal symmetric topological superconductors

Topological superconductors and Majorana edge modes at their boundaries have been theoretically predicted. However, their experimental observation remains controversial. Recent theoretical studies suggest that chiral Majorana edge modes exhibit distinct spatially-resolved optical conductivity compared to chiral Dirac edge modes. In this work, we investigate the optical conductivity and spatially-resolved optical conductivity induced by Majorana edge modes and Dirac edge modes under time-reversal symmetry and crystalline symmetry. We conduct numerical calculations and analytical calculations with edge effective theory for two-dimensional ${\mathbb Z}_2$ topological insulators, strong topological superconductors, and topological crystalline superconductors. Our results show that even under time-reversal symmetry and crystalline symmetry, Majorana edge modes and Dirac edge modes exhibit different optical responses.

cond-mat.supr-con

Fermi-surface diagnosis for topological superconductivity with $s$-wave-like pairing symmetries

Theoretical prediction of topological superconductivity is key to their discovery. Recently, it is proved that in 199 out of 230 space groups, topological superconductivity coexists with an $s$-wave-like pairing symmetry, raising the hope of finding more candidates for this exotic phase. However, a comprehensive and efficient method for diagnosing topological superconductivity in realistic materials remains elusive. Here, we derive Fermi-surface formulas for gapped and gapless topological phases of time-reversal symmetric superconductors with $s$-wave-like pairing symmetries in all layer and space groups, applicable to thin-film and bulk materials. Our diagnosis uses only the sign of the pairing and the Fermi velocity at several Fermi points, and yields complete (partial) diagnosis for gapped topological superconductivity in 159 (40) out of the 199 space groups. This provides a fundamental basis for the first-principles prediction of new topological superconductors.

cond-mat.supr-con

Towards complete characterization of topological insulators and superconductors: A systematic construction of topological invariants based on Atiyah-Hirzebruch spectral sequence

The past decade has witnessed significant progress in topological materials investigation. Symmetry-indicator theory and topological quantum chemistry provide an efficient scheme to diagnose topological phases from only partial information of wave functions without full knowledge of topological invariants, which has resulted in a recent comprehensive materials search. However, not all topological phases can be captured by this framework, and topological invariants are needed for a more refined diagnosis of topological phases. In this study, we present a systematic framework to construct topological invariants for a large part of symmetry classes, which should be contrasted with the existing invariants discovered through one-by-one approaches. Our method is based on the recently developed Atiyah-Hirzebruch spectral sequence in momentum space. As a demonstration, we construct topological invariants for time-reversal symmetric spinful superconductors with conventional pairing symmetries of all space groups, for which symmetry indicators are silent. We also validate that the obtained quantities work as topological invariants by computing them for randomly generated symmetric Hamiltonians. Remarkably, the constructed topological invariants completely characterize $K$-groups in 159 space groups. Our topological invariants for normal conducting phases are defined under some gauge conditions. To facilitate efficient numerical simulations, we discuss how to derive gauge-independent topological invariants from the gauge-fixed topological invariants through some examples. Combined with first-principles calculations, our results will help us discover topological materials that could be used in next-generation devices and pave the way for a more comprehensive topological materials database.

cond-mat.mes-hall

General corner charge formulas in various tetrahedral and cubic space groups

In some insulators, corner charges are fractionally quantized, due to the topological invariant called a filling anomaly. The previous theories of fractional corner charges have been mostly limited to two-dimensional systems. In three dimensions, only limited cases have been studied. In this study, we derive formulas for the filling anomaly and the corner charge in various crystals with all the tetrahedral and cubic space groups. We discuss that the quantized corner charge requires the crystal shapes to be vertex-transitive polyhedra. We show that the formula of the filling anomaly is universally given by the difference between electronic and ionic charges at the Wyckoff position 1a. The fractional corner charges appear by equally distributing the filling anomaly to all the corners of the crystal. We also derive the k-space formulas for the fractional corner charge. In some cases, the corner charge is not determined solely from the irreps at high-symmetry k-points. In such cases, we introduce a new Z2 topological invariant to determine the corner charge.

cond-mat.mtrl-sci

Atiyah-Hirzebruch spectral sequence for topological insulators and superconductors: $E_2$ pages for 1651 magnetic space groups

We compute the $E_2$ pages of the momentum-space and real-space Atiyah-Hirzebruch spectral sequence (AHSS) for topological crystalline insulators and superconductors up to three spatial dimensions, considering the cell decomposition in which if a group action fixes a cell setwise then its group action fixes the same cell pointwise. We provide a detailed description of the implementation for computing the $E_2$ pages of AHSS. Under a physically reasonable assumption, we enumerate all possible $K$-groups that are compatible with the $E_2$ pages for both momentum and real-space AHSS. As a result, we determine the $K$-groups for approximately 59\% of symmetry settings in three spatial dimensions. All the results can be found at this http \href{https://www2.yukawa.kyoto-u.ac.jp/~ken.shiozaki/ahss/e2.html}{URL}.

cond-mat.mes-hall

Classification of time-reversal symmetric topological superconducting phases for conventional pairing symmetries

Based on a recently developed framework, we conduct classifications of time-reversal symmetric topological superconductors with conventional pairing symmetries. Our real-space approach clarifies the nature of boundary modes in nontrivial phases. The key difference from the calculations for topological crystalline insulators originates from the appearance of vortex zero modes on the interface of several two-dimensional topological superconductors. We find that our classification is complete in the $K$-theory sense for all rod groups, all layer groups, and 159 out of 230 space groups. Our results shed new light on superconductors with conventional pairing as candidates for topological superconductors.

cond-mat.supr-con

High-throughput Investigations of Topological and Nodal Superconductors

The theory of symmetry indicators has enabled database searches for topological materials in normal conducting phases, which has led to several encyclopedic topological material databases. To date, such a database for topological superconductors is yet to be achieved because of the lack of information about pairing symmetries of realistic materials. In this work, sidestepping this issue, we tackle an alternative problem: the predictions of topological and nodal superconductivity in materials for each single-valued representation of point groups. Based on recently developed symmetry indicators for superconductors, we provide comprehensive mappings from pairing symmetries to topological or nodal superconducting nature for nonmagnetic materials listed in Inorganic Crystal Structure Database. We quantitatively show that around 90\% of computed materials are topological or nodal superconductors when a pairing that belongs to a one-dimensional nontrivial irrep of point groups is assumed. When materials are representation-enforced nodal superconductors, positions and shapes of the nodes are also identified. These data are aggregated at \textit{Database of Topological and Nodal Supercoductors}. We also provide a subroutine \textit{Topological Supercon}, which allows users to examine the topological nature in the superconducting phase of any material themselves by uploading the result of first-principles calculations as an input. Our database and subroutine, when combined with experiments, will help us understand the pairing mechanism and facilitate realizations of the long-sought Majorana fermions promising for topological quantum computations.

cond-mat.supr-con

Symmetry-based approach to nodal structures: Unification of compatibility relations and gapless point classifications

Determination of the symmetry property of superconducting gaps has been a central issue in studies to understand the mechanisms of unconventional superconductivity. Although it is often difficult to completely achieve the aforementioned goal, the existence of superconducting nodes, one of the few important experimental signatures of unconventional superconductivity, plays a vital role in exploring the possibility of unconventional superconductivity. The interplay between superconducting nodes and topology has been actively investigated, and intensive research in the past decade has revealed various intriguing nodes out of the scope of the pioneering work to classify superconducting order parameters based on the point groups. However, a systematic and unified description of superconducting nodes for arbitrary symmetry settings is still elusive. In this paper, we develop a systematic framework to comprehensively classify superconducting nodes pinned to any line in momentum space. While most previous studies have been based on the homotopy theory, our theory is on the basis of the symmetry-based analysis of band topology, which enables systematic diagnoses of nodes in all nonmagnetic and magnetic space groups. Furthermore, our framework can readily provide a highly effective scheme to detect nodes in a given superconductor by using density functional theory and assuming symmetry properties of Cooper pairs (called pairing symmetries), which can reduce candidates of pairing symmetries. We substantiate the power of our method through the time-reversal broken and noncentrosymmetric superconductor CaPtAs. Our work establishes a unified theory for understanding superconducting nodes and facilitates determining superconducting gaps in materials combined with experimental observations.

cond-mat.supr-con

Symmetry indicator in non-Hermitian systems

Recently, topological phases in non-Hermitian systems have attracted much attention because non-Hermiticity sometimes gives rise to unique phases with no Hermitian counterparts. Non-Hermitian Bloch Hamiltonians can always be mapped to doubled Hermitianized Hamiltonians with chiral symmetry, which enables us to utilize the existing framework for Hermitian systems into the classification of non-Hermitian topological phases. While this strategy succeeded in the topological classification of non-Hermitian Bloch Hamiltonians in the presence of internal symmetries, the generalization of symmetry indicators -- a way to efficiently diagnose topological phases -- to non-Hermitian systems is still elusive. In this work, we study a theory of symmetry indicators for non-Hermitian systems. We define space group symmetries of non-Hermitian Bloch Hamiltonians as ones of the doubled Hermitianized Hamiltonians. Consequently, symmetry indicator groups for chiral symmetric Hermitian systems are equivalent to those for non-Hermitian systems. Based on this equivalence, we list symmetry indicator groups for non-Hermitian systems in the presence of space group symmetries. We also discuss the physical implications of symmetry indicators for some symmetry classes. Furthermore, explicit formulas of symmetry indicators for spinful electronic systems are included in appendices.

cond-mat.mes-hall

qeirreps: an open-source program for Quantum ESPRESSO to compute irreducible representations of Bloch wavefunctions

Bloch wavefunctions in solids form a representation of crystalline symmetries. Recent studies revealed that symmetry representations in band structure can be used to diagnose the topological properties of weakly interacting materials. In this work, we introduce an open-source program qeirreps that computes the representation characters in a band structure based on the output file of Quantum ESPRESSO. Our program also calculates the Z4 index, i.e., the sum of inversion parities at all time-reversal invariant momenta, for materials with inversion symmetry. When combined with the symmetry indicator method, this program can be used to explore new topological materials.

cond-mat.mtrl-sci

Corner charge and bulk multipole moment in periodic systems

A formula for the corner charge in terms of the bulk quadrupole moment is derived for two-dimensional periodic systems. This is an analog of the formula for the surface charge density in terms of the bulk polarization. In the presence of an $n$-fold rotation symmetry with $n=3$, $4$, and $6$, the quadrupole moment is quantized and is independent of the spread or shape of Wannier orbitals, depending only on the location of Wannier centers of filled bands. In this case, our formula predicts the fractional part of the quadrupole moment purely from the bulk property. The system can contain many-body interactions as long as the ground state is gapped and topologically trivial in the sense it is smoothly connected to a product state limit. An extension of these results to three-dimensional systems is also discussed. In three dimensions, in general, even the fractional part of the corner charge is not fully predictable from the bulk perspective even in the presence of point group symmetry.

cond-mat.str-el

$\mathbb{Z}_2$-enriched symmetry indicators for topological superconductors in the 1651 magnetic space groups

While the symmetry-based diagnosis of topological insulators and semimetals has enabled large-scale discovery of topological materials candidates, the extension of these approaches to the diagnosis of topological superconductors remains a major open question. One important new ingredient in the analysis of topological superconductivity is the presence of $\mathbb Z_2$-valued Pfaffian invariants associated with certain high-symmetry momenta. Such topological invariants lie beyond the conventional scope of symmetry representation theory for band structures, and as such they are nontrivial to incorporate into the systematic calculations of the symmetry indicators of band topology. Here, we overcome this challenge and report the full computation of the $\mathbb Z_2$-enriched symmetry indicators for superconductors in all symmetry settings. Our results indicate that incorporating the $\mathbb Z_2$ band labels enhance the diagnostic power of the scheme in roughly $60\%$ of the symmetry settings. Our framework can also be readily integrated with first-principles calculations to elucidate on the possible properties of unconventional superconductivity in a given compound. As a demonstration, we analyze explicitly the interplay between pairing symmetry and topological superconductivity in the recently discovered superconductors CaPtAs and CaSb$_2$.

cond-mat.supr-con

Difficulties in operator-based formulation of the bulk quadrupole moment

Electric multipole moments are the most fundamental properties of insulating materials. However, the general formulation of bulk multipoles has been a long standing problem. The solution for the electric dipole moment was provided decades ago by King-Smith, Vanderbilt, and Resta. Recently, there have been attempts at generalizing Resta's formula to higher-order multipoles. We point out several issues in the recent proposals.

cond-mat.str-el

Refined symmetry indicators for topological superconductors in all space groups

Topological superconductors are exotic phases of matter featuring robust surface states that could be leveraged for topological quantum computation. A useful guiding principle for the search of topological superconductors is to relate the topological invariants with the behavior of the pairing order parameter on the normal-state Fermi surfaces. The existing formulas, however, become inadequate for the prediction of the recently proposed classes of topological crystalline superconductors. In this work, we advance the theory of symmetry indicators for topological (crystalline) superconductors to cover all space groups. Our main result is the exhaustive computation of the indicator groups for superconductors under a variety of symmetry settings. We further illustrate the power of this approach by analyzing four-fold symmetric superconductors with or without inversion symmetry, and show that the indicators can diagnose topological superconductors with surface states of different dimensionalities or dictate gaplessness in the bulk excitation spectrum.

cond-mat.supr-con