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The criticality-enhanced magnetocaloric effect (MCE) near a field-induced quantum critical point (QCP) in the spin systems constitutes a very promising and highly tunable alternative to conventional adiabatic demagnetization refrigeration. Strong fluctuations in the low-$T$ quantum critical regime can give rise to a large thermal entropy change and thus significant cooling effect when approaching the QCP. In this work, through efficient and accurate many-body calculations, we show there exists a significant inverse MCE(iMCE) in the spin-1 quantum chain materials(CH$_3$)$_4$NNi(NO$_2$)$_3$ (TMNIN) and NiCl$_2$-4SC(NH$_2$)$_2$ (DTN), where DTN has substantial low-$T$ refrigeration capacity while requiring only moderate magnetic fields. The iMCE characteristics, including the adiabatic temperature change $\Delta T_{\rm ad}$, isothermal entropy change $\Delta S$, differential Gr\"uneisen parameter, and the entropy change rate, are obtained with quantum many-body calculations at finite temperature. The cooling performance, i.e., the efficiency factor and hold time, of the two compounds is also discussed. Based on the many-body calculations on realistic models for the spin-chain materials, we conclude that the compound DTN constitutes a very promising and highly efficient quantum magnetic coolant with pronounced iMCE properties. We advocate that such quantum magnets can be used in cryofree refrigeration for space applications and quantum computing environments., Comment: 10 pages,9 figures,1 table

The interplay between spin frustration and charge fluctuation gives rise to an exotic quantum state in the intermediate-interaction regime of the half-filled triangular-lattice Hubbard model, while the nature of the state is under debate. Using the density matrix renormalization group with SU(2)$_{\rm{spin}} \otimes $U(1)$_{\rm{charge}}$ symmetries implemented, we study the triangular-lattice Hubbard model defined on the long cylinder geometry up to circumference $W=6$. A gapped quantum spin liquid, with on-site interaction $9 \lesssim U / t \lesssim 10.75$, is identified between the metallic and the antiferromagnetic Mott insulating phases. In particular, we find that this spin liquid develops a robust long-range spin scalar-chiral correlation as the system length $L$ increases, which unambiguously unveils the spontaneous time-reversal symmetry breaking. In addition, the degeneracy of the entanglement spectrum supports symmetry fractionalization and spinon edge modes in the obtained ground state. The possible origin of chiral order in this intermediate spin liquid and its relation to the rotonlike excitations have also been discussed., Comment: 8+6 pages, 7+8 figures

Higher-order topological phases and real topological phases are two emerging topics in topological states of matter, which have been attracting considerable research interest. However, it remains a challenge to find realistic materials that can realize these exotic phases. Here, based on first-principles calculations and theoretical analysis, we identify graphyne, the representative of the graphyne-family carbon allotropes, as a two-dimensional (2D) second-order topological insulator and a real Chern insulator. We show that graphyne has a direct bulk band gap at the three $M$ points, forming three valleys. The bulk bands feature a double band inversion, which is characterized by the nontrivial real Chern number enabled by the spacetime-inversion symmetry. The real Chern number is explicitly evaluated by both the Wilson-loop method and the parity approach, and we show that it dictates the existence of Dirac type edge bands and the topological corner states. Furthermore, we find that the topological phase transition in graphyne from the second-order topological insulator to a trivial insulator is mediated by a 2D Weyl semimetal phase. The robustness of the corner states against symmetry breaking and possible experimental detection methods are discussed., Comment: 9 pages, 5+3 figures

Magic-angle twisted bilayer graphene has recently become a thriving material platform realizing correlated electron phenomena taking place within its topological flat bands. Several numerical and analytical methods have been applied to understand the correlated phases therein, revealing some similarity with the quantum Hall physics. In this work, we provide a Mott-Hubbard perspective for the TBG system. Employing the large-scale density matrix renormalization group on the lattice model containing the projected Coulomb interactions only, we identify a first-order quantum phase transition between the insulating stripe phase and the quantum anomalous Hall state with the Chern number of $\pm 1$. Our results not only shed light on the mechanism of the quantum anomalous Hall state discovered at three-quarters filling, but also provide an example of the topological Mott insulator, i.e., the quantum anomalous Hall state in the strong coupling limit., Comment: 6+7 pages, 3+7 figures

Understanding quantum many-body states of correlated electrons is one main theme in modern condensed matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, has been recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping, to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Phys. Rev. X 8, 031082 (2018)], complemented with independent determinant quantum Monte Carlo (DQMC) offer a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to unprecedented low temperature of few percents of the fermion tunneling energy scale. We observe excellent agreement with ultracold fermion measurements at both half-filling and finite-doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behavior of the antimoments., Comment: 12 pages, 11 figures

We propose a universal practical approach to realize magnetic second-order topological insulator (SOTI) materials, based on properly breaking the time reversal symmetry in conventional (first-order) topological insulators. The approach works for both three dimensions (3D) and two dimensions (2D), and is particularly suitable for 2D, where it can be achieved by coupling a quantum spin Hall insulator with a magnetic substrate. Using first-principles calculations, we predict bismuthene on EuO(111) surface as the first realistic system for a 2D magnetic SOTI. We explicitly demonstrate the existence of the protected corner states. Benefited from the large spin-orbit coupling and sizable magnetic proximity effect, these corner states are located in a boundary gap $\sim 83$ meV, hence can be readily probed in experiment. By controlling the magnetic phase transition, a topological phase transition between a first-order TI and a SOTI can be simultaneously achieved in the system. The effect of symmetry breaking, the connection with filling anomaly, and the experimental detection are discussed., Comment: 6 pages, 4 figures

To handle time series with complicated oscillatory structure, we propose a novel time-frequency (TF) analysis tool that fuses the short time Fourier transform (STFT) and periodic transform (PT). Since many time series oscillate with time-varying frequency, amplitude and non-sinusoidal oscillatory pattern, a direct application of PT or STFT might not be suitable. However, we show that by combining them in a proper way, we obtain a powerful TF analysis tool. We first combine the Ramanujan sums and $l_1$ penalization to implement the PT. We call the algorithm Ramanujan PT (RPT). The RPT is of its own interest for other applications, like analyzing short signal composed of components with integer periods, but that is not the focus of this paper. Second, the RPT is applied to modify the STFT and generate a novel TF representation of the complicated time series that faithfully reflect the instantaneous frequency information of each oscillatory components. We coin the proposed TF analysis the Ramanujan de-shape (RDS) and vectorized RDS (vRDS). In addition to showing some preliminary analysis results on complicated biomedical signals, we provide theoretical analysis about RPT. Specifically, we show that the RPT is robust to three commonly encountered noises, including envelop fluctuation, jitter and additive noise.

MB-DPOP is an important complete algorithm for solving Distributed Constraint Optimization Problems (DCOPs) by exploiting a cycle-cut idea to implement memory-bounded inference. However, each cluster root in the algorithm is responsible for enumerating all the instantiations of its cycle-cut nodes, which would cause redundant inferences when its branches do not have the same cycle-cut nodes. Additionally, a large number of cycle-cut nodes and the iterative nature of MB-DPOP further exacerbate the pathology. As a result, MB-DPOP could suffer from huge coordination overheads and cannot scale up well. Therefore, we present RMB-DPOP which incorporates several novel mechanisms to reduce redundant inferences and improve the scalability of MB-DPOP. First, using the independence among the cycle-cut nodes in different branches, we distribute the enumeration of instantiations into different branches whereby the number of nonconcurrent instantiations reduces significantly and each branch can perform memory bounded inference asynchronously. Then, taking the topology into the consideration, we propose an iterative allocation mechanism to choose the cycle-cut nodes that cover a maximum of active nodes in a cluster and break ties according to their relative positions in a pseudo-tree. Finally, a caching mechanism is proposed to further reduce unnecessary inferences when the historical results are compatible with the current instantiations. We theoretically show that with the same number of cycle-cut nodes RMB-DPOP requires as many messages as MB-DPOP in the worst case and the experimental results show our superiorities over the state-of-the-art.

Search and inference are two main strategies for optimally solving Distributed Constraint Optimization Problems (DCOPs). Recently, several algorithms were proposed to combine their advantages. Unfortunately, such algorithms only use an approximated inference as a one-shot preprocessing phase to construct the initial lower bounds which lead to inefficient pruning under the limited memory budget. On the other hand, iterative inference algorithms (e.g., MB-DPOP) perform a context-based complete inference for all possible contexts but suffer from tremendous traffic overheads. In this paper, $(i)$ hybridizing search with context-based inference, we propose a complete algorithm for DCOPs, named {HS-CAI} where the inference utilizes the contexts derived from the search process to establish tight lower bounds while the search uses such bounds for efficient pruning and thereby reduces contexts for the inference. Furthermore, $(ii)$ we introduce a context evaluation mechanism to select the context patterns for the inference to further reduce the overheads incurred by iterative inferences. Finally, $(iii)$ we prove the correctness of our algorithm and the experimental results demonstrate its superiority over the state-of-the-art.

Thermoelectric (TE) conversion in conducting materials is of eminent importance for providing renewable energy and solid-state cooling. Although traditionally, the Seebeck effect plays a key role for the TE figure of merit zST, it encounters fundamental constraints hindering its conversion efficiency. Most notably, there are the charge compensation of electrons and holes that diminishes this effect, and the intertwinement of the corresponding electrical and thermal conductivities through the Wiedemann-Franz (WF) law which makes their independent optimization in zST impossible. Here, we demonstrate that in the Dirac semimetal Cd3As2 the Nernst effect, i.e., the transverse counterpart of the Seebeck effect, can generate a large TE figure of merit zNT. At room temperature, zNT = 0.5 in a small field of 2 T; it significantly surmounts its longitudinal counterpart zST for any field and further increases upon warming. A large Nernst effect is generically expected in topological semimetals, benefiting from both the bipolar transport of compensated electrons and holes and their high mobilities. In this case, heat and charge transport are orthogonal, i.e., not intertwined by the WF law anymore. More importantly, further optimization of zNT by tuning the Fermi level to the Dirac node can be anticipated due to not only the enhanced bipolar transport, but also the anomalous Nernst effect arising from a pronounced Berry curvature. A combination of the former topologically trivial and the latter nontrivial advantages promises to open a new avenue towards high-efficient transverse thermoelectricity., Comment: 12 pages, 4 figures

Belief propagation approaches, such as Max-Sum and its variants, are a kind of important methods to solve large-scale Distributed Constraint Optimization Problems (DCOPs). However, for problems with n-ary constraints, these algorithms face a huge challenge since their computational complexity scales exponentially with the number of variables a function holds. In this paper, we present a generic and easy-to-use method based on a branch-and-bound technique to solve the issue, called Function Decomposing and State Pruning (FDSP). We theoretically prove that FDSP can provide monotonically non-increasing upper bounds and speed up belief propagation based DCOP algorithms without an effect on solution quality. Also, our empirically evaluation indicates that FDSP can reduce 97\% of the search space at least and effectively accelerate Max-Sum, compared with the state-of-the-art.

Asymmetric distributed constraint optimization problems (ADCOPs) are an emerging model for coordinating agents with personal preferences. However, the existing inference-based complete algorithms which use local eliminations cannot be applied to ADCOPs, as the parent agents are required to transfer their private functions to their children. Rather than disclosing private functions explicitly to facilitate local eliminations, we solve the problem by enforcing delayed eliminations and propose AsymDPOP, the first inference-based complete algorithm for ADCOPs. To solve the severe scalability problems incurred by delayed eliminations, we propose to reduce the memory consumption by propagating a set of smaller utility tables instead of a joint utility table, and to reduce the computation efforts by sequential optimizations instead of joint optimizations. The empirical evaluation indicates that AsymDPOP significantly outperforms the state-of-the-arts, as well as the vanilla DPOP with PEAV formulation.

A second-order topological insulator (SOTI) in $d$ spatial dimensions features topologically protected gapless states at its $(d-2)$-dimensional boundary at the intersection of two crystal faces, but is gapped otherwise. As a novel topological state, it has been attracting great interest, but it remains a challenge to identify a realistic SOTI material in two dimensions (2D). Here, based on combined first-principles calculations and theoretical analysis, we reveal the already experimentally synthesized 2D material graphdiyne as the first realistic example of a 2D SOTI, with topologically protected 0D corner states. The role of crystalline symmetry, the robustness against symmetry-breaking, and the possible experimental characterization are discussed. Our results uncover a hidden topological character of graphdiyne and promote it as a concrete material platform for exploring the intriguing physics of higher-order topological phases., Comment: 6 pages, 5 figures

In this work, we benchmark the well-controlled and numerically accurate exponential thermal tensor renormalization group (XTRG) in the simulation of interacting spin models in two dimensions. Finite temperature introduces a thermal correlation length, which justifies the analysis of finite system size for the sake of numerical efficiency. In this paper we focus on the square lattice Heisenberg antiferromagnet (SLH) and quantum Ising models (QIM) on open and cylindrical geometries up to width $W=10$. We explore various one-dimensional mapping paths in the matrix product operator (MPO) representation, whose performance is clearly shown to be geometry dependent. We benchmark against quantum Monte Carlo (QMC) data, yet also the series-expansion thermal tensor network results. Thermal properties including the internal energy, specific heat, and spin structure factors, etc., are computed with high precision, obtaining excellent agreement with QMC results. XTRG also allows us to reach remarkably low temperatures. For SLH we obtain at low temperature an energy per site $u_g^*\simeq -0.6694(4)$ and a spontaneous magnetization $m_S^*\simeq0.30(1)$, which is already consistent with the ground state properties. We extract an exponential divergence vs. $T$ of the structure factor $S(M)$, as well as the correlation length $\xi$, at the ordering wave vector $M=(\pi,\pi)$, which represents the renormalized classical behavior and can be observed over a narrow but appreciable temperature window, by analysing the finite-size data by XTRG simulations. For the QIM with a finite-temperature phase transition, we employ several thermal quantities, including the specific heat, Binder ratio, as well as the MPO entanglement to determine the critical temperature $T_c$., Comment: 16 pages, 16 figures

Asymmetric Distributed Constraint Optimization Problems (ADCOPs) have emerged as an important formalism in multi-agent community due to their ability to capture personal preferences. However, the existing search-based complete algorithms for ADCOPs can only use local knowledge to compute lower bounds, which leads to inefficient pruning and prohibits them from solving large scale problems. On the other hand, inference-based complete algorithms (e.g., DPOP) for Distributed Constraint Optimization Problems (DCOPs) require only a linear number of messages, but they cannot be directly applied into ADCOPs due to a privacy concern. Therefore, in the paper, we consider the possibility of combining inference and search to effectively solve ADCOPs at an acceptable loss of privacy. Specifically, we propose a hybrid complete algorithm called PT-ISABB which uses a tailored inference algorithm to provide tight lower bounds and a tree-based complete search algorithm to exhaust the search space. We prove the correctness of our algorithm and the experimental results demonstrate its superiority over other state-of-the-art complete algorithms.

Nodal-line metals and semimetals, as interesting topological states of matter, have been mostly studied in nonmagnetic materials. Here, based on first-principles calculations and symmetry analysis, we predict that fully spin-polarized Weyl loops can be realized in the half metal state for the three-dimensional material Li$_3$(FeO$_3$)$_2$. We show that this material has a ferromagnetic ground state, and it is a half metal with only a single spin channel present near the Fermi level. The spin-up bands form two separate Weyl loops close to the Fermi level, which arise from band inversions and are protected by the glide mirror symmetry. One loop is of type-I, whereas the other loop is of hybrid type. Corresponding to these two loops in the bulk, on the (100) surface, there exist two fully spin-polarized drumheads of surface states within the surface projections of the loops. The effects of the electron correlation and the spin-orbit coupling, as well as the possible hourglass Weyl chains in the nonmagnetic state have been discussed. The realization of fully spin-polarized Weyl-loop fermions in the bulk and drumhead fermions on the surface for a half metal may generate promising applications in spintronics., Comment: 8 pages, 9 figures