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Spinless systems exhibit unique topological characteristics compared to spinful ones, stemming from their distinct algebra. Without chiral interactions typically linked to spin, an intriguing yet unexplored interplay between topological and structural chirality may be anticipated. Here we discover spinless topological chiralities solely from structural chiralities that lie in the 3D spatial patterning of structureless units, exemplified using two types of twisted graphite systems. In a 3D screw twisted structure without periodicity in all directions, we find a chiral Weyl semimetal phase where bulk topology and chiral surface states are both determined by the screw direction. And in a 3D periodic structure formed with layer-alternating twist angle signs, a higher-order Dirac semimetal with chiral hinge states is discovered. Underlying these novel topological states is the intervalley Umklapp scattering that captures the chirality of the twisted interfaces, leading effectively to a sign-flipped chiral interlayer hopping, thereby introducing $\pi$-flux Z2 lattice gauge field that alters the symmetry algebra. Our findings point to a new pathway for engineering topological chirality through patterning twisted arrays of featureless units, which can expand the design principles for topological photonics and acoustics., Comment: 24 pages, 15 figures

Determination of the magnetic structure and confirmation of the presence or absence of inversion ($\mathcal{P}$) and time reversal ($\mathcal{T}$) symmetry is imperative for correctly understanding the topological magnetic materials. Here high-quality single crystals of the layered manganese pnictide CaMnSb$_2$ are synthesized using the self-flux method. De Haas-van Alphen oscillations indicate a nontrivial Berry phase of $\sim$ $\pi$ and a notably small cyclotron effective mass, supporting the Dirac semimetal nature of CaMnSb$_2$. Neutron diffraction measurements identify a C-type antiferromagnetic (AFM) structure below $T\rm_{N}$ = 303(1) K with the Mn moments aligned along the $a$ axis, which is well supported by the density functional theory (DFT) calculations. The corresponding magnetic space group is $Pn'm'a'$, preserving a $\mathcal{P}\times\mathcal{T}$ symmetry. Adopting the experimentally determined magnetic structure, band crossings near the Y point in momentum space and linear dispersions of the Sb $5p_{y,z}$ bands are revealed by the DFT calculations. Furthermore, our study predicts the possible existence of an intrinsic second-order nonlinear Hall effect in CaMnSb$_2$, offering a promising platform to study the impact of topological properties on nonlinear electrical transports in antiferromagnets., Comment: 7 Pages, 6 figures

Magnetic double perovskite compounds provide a fertile playground to explore interesting electronic and magnetic properties. By complementary macroscopic characterizations, neutron powder diffraction measurements and first-principles calculations, we have performed comprehensive studies on the magnetic ordering in the double perovskite compound Sr$_2$NiWO$_6$. It is found by neutron diffraction to order magnetically in a collinear type-II antiferromagnetic structure in a tetragonal lattice with $k$ = (0.5, 0, 0.5) below $T\rm_N$ = 56 K. In the ground state, the ordered moment of the spin-1 Ni$^{2+}$ ions is determined to be 1.9(2) $\mu\rm_{B}$, indicating a significant quenching of the orbital moment. The Ni$^{2+}$ moments in Sr$_2$NiWO$_6$ are revealed to cant off the $c$ axis by 29.2$^{\circ}$, which is well supported by the first-principles magnetic anisotropy energy calculations. Furthermore, the in-plane and out-of-plane next-nearest-neighbor superexchange couplings ($J\rm_2$ and $J\rm_{2c}$) are found to play a dominant role in the spin Hamiltonian of Sr$_2$NiWO$_6$, which accounts for the stabilization of the type-II AFM structure as its magnetic ground state., Comment: 10 Pages, 6 figures, accepted for publication in Physical Review B

The real Chern insulator state, featuring nontrivial real Chern number and second-order boundary modes, has been revealed in a few two-dimensional systems. The concept can be extended to three dimensions (3D), but a proper material realization is still lacking. Here, based on first-principles calculations and theoretical analysis, we identify the recently synthesized bulk ${\gamma}$-graphyne as a 3D real Chern insulator. Its nontrivial bulk topology leads to topological hinge modes spreading across the 1D edge Brillouin zone. Under compression of the interlayer distance, the system can undergo a topological phase transition into a real nodal-line semimetal, which hosts three bulk nodal rings and topological boundary modes on both surfaces and hinges. We also develop a minimal model which captures essential physics of the system.

Three-dimensional (3D) two-band Hopf insulators are a paradigmatic example of topological phases beyond the topological classifications based on powerful methods like $K$-theory and symmetry indicators.Since this class of topological insulating phases was theoretically proposed in 2008, they have attracted significant interest owing to their conceptual novelty, connection to knot theory, and many fascinating physical properties. However, because their realization requires special forms of long-range spin-orbit coupling (SOC), they have not been achieved in any 3D system yet. Here we report the first experimental realization of the long-sought-after Hopf insulator in a 3D circuit system. To implement the Hopf insulator, we construct basic pseudo-spin modules and connection modules that can realize $2\times2$-matrix elements and then design the circuit network according to a tight-binding Hopf insulator Hamiltonian constructed by the Hopf map. By simulating the band structure of the designed circuit network and calculating the Hopf invariant, we find that the circuit realizes a Hopf insulator with Hopf invariant equaling $4$. Experimentally, we measure the band structure of a printed circuit board and find the observed properties of the bulk bands and topological surface states (TSS) are in good agreement with the theoretical predictions, verifying the bulk-boundary correspondence of the Hopf insulator. Our scheme brings the experimental study of Hopf insulators to reality and opens the door to the implementation of more unexplored topological phases beyond the known topological classifications.

The study of higher-order and real topological states as well as the material realization have become a research forefront of topological condensed matter physics in recent years. Twisted bilayer graphene (tbG) is proved to have higher-order and real topology. However whether this conclusion can be extended to other two-dimensional twisted bilayer carbon materials and the mechanism behind it lack explorations. In this paper, we identify the twisted bilayer $\alpha$-graphyne (tbGPY) at large twisting angle as a real Chern insulator (also known as Stiefel-Whitney insulator) and a second-order topological insulator. Our first-principles calculations suggest that the tbGPY at 21.78$^\circ$ is stable at 100 K with a larger bulk gap than the tbG. The non-trivial topological indicators, including the real Chern number and a fractional charge, and the localized in-gap corner states are demonstrated from first-principles and tight-binding calculations. Moreover, with $\mathcal C_{6z}$ symmetry, we prove the equivalence between the two indicators, and explain the existence of the corner states. To decipher the real and higher-order topology inherited from the Moir\'e heterostructure, we construct an effective four band tight-binding model capturing the topology and dispersion of the tbGPY at large twisting angle. A topological phase transition to a trivial insulator is demonstrated by breaking the $\mathcal C_{2y}$ symmetry of the effective model, which gives insights on the trivialization of the tbGPY as reducing the twisting angle to 9.43$^\circ$ suggested by our first-principles calculations.

The effects of Sr doping on the structural properties of Na$_{2}$BaCo(PO$_{4}$)$_{2}$, a spin-1/2 triangular-lattice antiferromagnet as a quantum spin liquid candidate, are investigated by complementary x-ray and neutron powder diffraction measurements. It is found that in Na$_{2}$Ba$_{1-x}$Sr$_{x}$Co(PO$_{4}$)$_{2}$ (NBSCPO), the trigonal phase (space group $\mathit{P}$$\bar{3}$$\mathit{m}$1) with a perfect triangular lattice of Co$^{2+}$ ions is structurally stable when the doping level of Sr is below 30% ($\mathit{x}$ $\le$ 0.3), while a pure monoclinic phase (space group $\mathit{P}$2$_{1}$/$\mathit{a}$) with slight rotations of CoO$_{6}$ octahedra and displacements of Ba$^{2+}$/Sr$^{2+}$ ions will be established when the Sr doping level is above 60% ($\mathit{x}$ $\ge$ 0.6). Such a doping-induced structural transformation in NBSCPO is supported by first-principles calculations and Raman spectroscopy. Na$_{2}$SrCo(PO$_{4}$)$_{2}$, a novel spin-1/2 triangular-lattice antiferromagnet with glaserite-type structure, although monoclinically distorted, exhibits no long-range magnetic order down to 2 K and a similar negative Curie-Weiss temperature as Na$_{2}$BaCo(PO$_{4}$)$_{2}$ with a perfect triangular lattice, suggesting the robustness of magnetic exchange interaction against the Ba/Sr substitutions., Comment: 26 pages, 7 figures

Two-dimensional (2D) magnetic materials hosting nontrivial topological states are interesting for fundamental research as well as practical applications. Recently, the topological state of 2D Weyl half-semimetal (WHS) was proposed, which hosts fully spin polarized Weyl points robust against spin-orbit coupling in a 2D ferromagnetic system, and single-layer PtCl$_3$ was predicted as a platform for realizing this state. Here, we perform an extensive search of 2D PtCl$_3$ structures, by using the particle swarm optimization technique and density functional theory calculation. We show that the desired PtCl$_3$ phase corresponds to the most stable one at its stoichiometry. The 2D structure also possesses good thermal stability up to 600 K. We suggest SnS$_2$ as a substrate for the growth of 2D PtCl$_3$, which has excellent lattice matching and preserves the WHS state in PtCl$_3$. We find that uniaxial strains along the zigzag direction maintain the WHS state, whereas small strains along the armchair direction drives a topological phase transition from the WHS to a quantum anomalous Hall (QAH) insulator phase. Furthermore, we study bilayer PtCl$_3$ and show that the stacking configuration has strong impact on the magnetism and the electronic band structure. Particularly, the $AA'$ stacked bilayer PtCl$_3$ realizes an interesting topological state -- the 2D antiferromagnetic mirror Chern insulator, which has a pair of topological gapless edge bands. Our work provides guidance for the experimental realization of 2D PtCl$_3$ and will facilitate the study of 2D magnetic topological states, including WHS, QAH insulator, and magnetic mirror Chern insulator states.

Na$_{4-\delta}$NiTeO$_{6}$ is a rare example in the transition-metal tellurate family of realizing an $S$ = 1 spin-chain structure. By performing neutron powder diffraction measurements, the ground-state magnetic structure of Na$_{4-\delta}$NiTeO$_{6}$ is determined. These measurements reveal that below $T\rm_{N}$ ${\sim}$ 6.8(2) K, the Ni$^{2+}$ moments form a screwed ferromagnetic (FM) spin-chain structure running along the crystallographic $a$ axis but these FM spin chains are coupled antiferromagnetically along the $b$ and $c$ directions, giving rise to a magnetic propagation vector of $k$ = (0, 1/2, 1/2). This zigzag magnetic order is well supported by first-principles calculations. The moment size of Ni$^{2+}$ spins is determined to be 2.1(1) $\mu$$\rm_{B}$ at 3 K, suggesting a significant quenching of the orbital moment due to the crystalline electric field (CEF) effect. The previously reported metamagnetic transition near $H\rm_{C}$ ${\sim}$ 0.1 T can be understood as a field-induced spin-flip transition. The relatively easy tunability of the dimensionality of its magnetism by external parameters makes Na$_{4-\delta}$NiTeO$_{6}$ a promising candidate for further exploring various types of novel spin-chain physics., Comment: 10 pages, 6 figures

Dirac semimetals (DSMs) are an important class of topological states of matter. Here, focusing on DSMs of band inversion type, we investigate their boundary modes from the effective model perspective. We show that in order to properly capture the boundary modes, $k$-cubic terms must be included in the effective model, which would drive an evolution of surface degeneracy manifold from a nodal line to a nodal point. Using first-principles calculations, we demonstrate that this feature and the topological hinge modes can be clearly exhibited in $\beta$-CuI. We further extend the discussion to magnetic DSMs and show that the time-reversal symmetry breaking can gap out the surface bands and hence help to expose the hinge modes in the spectrum, which could be beneficial for the experimental detection of hinge modes., Comment: 8 pages, 7 figures

Topological semimetals (TSMs) have attracted numerous attention due to their exotic physical properties and great application potentials. Silicon-based TMSs are of particularly importance because of their high abundance, nontoxicity and natural compatibility with current semiconductor industry. In this work, an ideal low-energy topological nodal-line semimetal (TNLSM) silicon (I4/mcm-Si$_{48}$) with a clean band crossing at Fermi level is screened from thousands of silicon allotropes by the transferable tight-binding and DFT-HSE calculations. The results of formation energy, phonon dispersion, ab initio molecular dynamics and elastic constants show that I4/mcm-Si48 possesses good stability and is more stable than several synthetized silicon structures. By analyzing the symmetry, it reveals that the topological nodal-line of I4/mcm-Si48 is protected by mirror symmetry and inversion, time-reversal and SU(2) spin-rotation symmetries, and the nearly flat drumhead-like surface spectrum is observed. Furthermore, I4/mcm-Si48 exhibits exotic photoelectric properties and the Dirac fermions with high Fermi velocity (3.4$\sim$4.36$\times$10$^5$ m/s) can be excited by low energy photons. Our study provides a promising topological nodal-line semimetal for fundamental research and potential practical applications in semiconductor-compatible high-speed photoelectric devices., Comment: 10 pages, 5 figures

Prototypical models and their material incarnations are cornerstones to the understanding of quantum magnetism. Here we show theoretically that the recently synthesized magnetic compound Na$_2$BaCo(PO$_4$)$_2$ (NBCP) is a rare, nearly ideal material realization of the $S=1/2$ triangular-lattice antiferromagnet with significant easy-axis spin exchange anisotropy. By combining the automatic parameter searching and tensor-network simulations, we establish a microscopic model description of this material with realistic model parameters, which can not only fit well the experimental thermodynamic data but also reproduce the measured magnetization curves without further adjustment of parameters. According to the established model, the NBCP hosts a spin supersolid state that breaks both the lattice translation symmetry and the spin rotational symmetry. Such a state is a spin analogue of the long-sought supersolid state, thought to exist in solid Helium and optical lattice systems, and share similar traits. The NBCP therefore represents an ideal material-based platform to explore the physics of supersolidity as well as its quantum and thermal melting., Comment: 17 pages, 10 figures

Real topological phases featuring real Chern numbers and second-order boundary modes have been a focus of current research, but finding their material realization remains a challenge. Here, based on first-principles calculations and theoretical analysis, we reveal the already experimentally synthesized three-dimensional (3D) graphdiyne as the first realistic example of the recently proposed second-order real nodal-line semimetal. We show that the material hosts a pair of real nodal rings, each protected by two topological charges: a real Chern number and a 1D winding number. The two charges generate distinct topological boundary modes at distinct boundaries. The real Chern number leads to a pair of hinge Fermi arcs, whereas the winding number protects a double drumhead surface bands. We develop a low-energy model for 3D graphdiyne which captures the essential topological physics. Experimental aspects and possible topological transition to a 3D real Chern insulator phase are discussed., Comment: 8 pages, 4+4 figures. Accepted for publication in Physical Review Letters

The interplay between magnetism and band topology is a focus of current research on magnetic topological systems. Based on first-principle calculations and symmetry analysis, we reveal multiple intriguing topological states can be realized in a single system EuAgAs, controlled by the magnetic ordering. The material is Dirac semimetal in the paramagnetic state, with a pair of accidental Dirac points. Under different magnetic configurations, the Dirac points can evolve into magnetic triply-degenerate points, magnetic linear and double Weyl points, or being gapped out and making the system a topological mirror semimetal characterized by mirror Chern numbers. The change in bulk topology is also manifested in the surface states, including the surface Fermi arcs and surface Dirac cones. In addition, the antiferromagnetic states also feature a nontrivial Z4 index, implying a higher order topology. These results deepen our understanding of magnetic topological states and provide new perspectives for spintronic applications., Comment: 8 pages,7 figures