arXiv subjects

Zeying Zhang

Publications and source records attributed to Zeying Zhang.

At least 19 recordsLinked to original sources

arXiv2026

Generalized Space Groups from Internal Configuration Spaces

We develop a unified construction of generalized space groups for crystals with unconventional internal degrees of freedom. Starting from the full group $G_P$ of allowed internal transformations and the stabilizer $P$ of a reference object, we determine the pointwise and setwise symmetries, $J$ and $K$, of the allowed configuration set. Goursat's lemma then couples the internal quotient $K/J$ to a spatial quotient. The framework includes ordinary, magnetic, spin, and color space groups as special cases. As an example, we consider a dodecahedral object with $P=I\simeq A_5$, for which we obtain the nontrivial pair $T\triangleleft O$ with $O/T\simeq\mathbb Z_2$. The resulting generalized space group hosts a point node with topological charge $|C|=12$.

cond-mat.mtrl-sci↗

arXiv2026

Spin layer groups and their corepresentations

Spin layer groups are the crystallographic symmetry groups with a periodic plane, and their symmetry operations are inherited from three-dimensional (3D) spin space groups. However, the direct application of 3D symmetry groups to two-dimensional systems is often inadequate due to anisotropic axes and dimensional reduction. In this work, we systematically classify inequivalent spin layer groups and analytically derive their irreducible corepresentations. This classification establishes a foundational framework for investigating symmetry-protected properties and novel quantum states in low-dimensional magnetic materials.

cond-mat.mtrl-sci↗

arXiv2025

Ultrafast symmetry modulation and induced magnetic excitation in the Kagome metal RbV3Sb5

Light-matter interaction in frustrated Kagome metals enables access to hidden quantum states, yet the microscopic origin of symmetry breaking under ultrafast excitation remains elusive. Here, we uncover a microscopic mechanism for laser-induced symmetry breaking in RbV3Sb5 through first-principles real-time simulations. Selective excitation of a single-QM phonon mode dynamically breaks both rotational and time-reversal symmetries within the 2X2X1 charge density wave (CDW) superlattice. The resulting anisotropic lattice distortion lifts geometric frustration and stabilizes a nonequilibrium ferrimagnetic phase, accompanied by a sizable intrinsic anomalous Hall effect. Distinct from prior interpretations based on orbital antiferromagnetism or extrinsic perturbations, our findings reveal a spin-driven pathway for symmetry breaking under strong optical fields. These results provide a microscopic foundation for exploring how spin, lattice and charge degrees of freedom are intertwined in nonequilibrium correlated states.

cond-mat.str-el↗

arXiv2025

Symmetry Classification of Altermagnetism and Emergence of Type-IV Magnetism in Two Dimensions

Two-dimensional (2D) magnetism, particularly 2D altermagnetism (AM), has attracted considerable interest due to its exceptional physical properties and broad application potential. However, the classification of AM undergoes a fundamental paradigm shift when transitioning from three-dimensional (3D) to 2D symmetry-enforced fully compensated collinear magnetism$-$a shift that has remained largely overlooked. Here, by extending unconventional magnetism to 2D collinear systems, we identify the symmetry conditions and electronic band characteristics of a distinct magnetic phase: type-IV magnetism. This new class lies beyond the established descriptions of ferromagnetism, conventional antiferromagnetism, and AM. Type-IV magnetism supports the successive emergence of both nonrelativistic spin-degenerate and relativistic spin-splitting phenomena, belonging strictly to neither conventional antiferromagnetism nor standard AM. We further establish a universal symmetry classification framework for 2D type-IV magnets via a mapping from the collinear spin layer group to the magnetic layer group. Monolayer MgCr$_2$O$_3$ and monolayer BaMn$_2$Ch$_3$ (Ch=Se, Te) are showcased as representative materials, exhibiting gate-tunable reversible spin textures and the quantum electric Hall effect, respectively. Our work underscores the rich functional prospects of type-IV magnets, offering a new route toward spin manipulation and anomalous transport that promises innovative designs for high-performance spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Engineering Spin Splitting in Antiferromagnets by Superatoms with Internal Degree of Freedom

Superatoms, stable atomic clusters acting as building blocks for new materials, offer unique opportunities due to their rich properties and potential for 2D material assembly. While extensive research has focused on their similarities to ordinary atoms, the role of their internal degrees of freedom (IDOF) remains largely unexplored. Concurrently, compensated antiferromagnets (AFMs) with intrinsic spin-split band structures have emerged as a promising class of materials for spintronics, yet their experimental realization, particularly in two dimensions, is limited. Here, we bridge these two fields by proposing a novel strategy to achieve spin-split AFMs using superatoms with IDOFs. We establish our core concept using a simple model, demonstrating how superatom IDOFs can be leveraged to engineer system symmetry and induce spin splitting in AFM states. We concretely illustrate this strategy by first-principles calculations on a Mo-decorated carborophene sheets, constructed from closo-carborane superatoms. We show that the distinct IDOFs of carborane isomers (electric-dipole-like and nematic) are critical in determining the symmetry of the resulting 2D superatomic crystal and, consequently, the spin splitting pattern of its AFM states. Our findings underscore the profound significance of superatom IDOFs-a feature absent in ordinary atoms-and introduce a new paradigm for engineering spin splitting in AFM lattices. This work opens novel avenues for the design of advanced spintronic and quantum materials based on superatoms.

cond-mat.mtrl-sci↗

arXiv2025

Sliding Ferroelectrics Induced Hybrid-Order Topological Phase Transitions

We propose ferroelectric layer sliding as a new approach to realize and manipulate topological quantum states in two-dimensional (2D) bilayer magnetic van der Waals materials. We show that stacking monolayer ferromagnetic topological states into layer-spin-locked bilayer antiferromagnetic structures, and introducing sliding ferroelectricity leads to asynchronous topological evolution of different layers (spins) owing to existence of polarization potentials, thereby giving rise to rich layer-resolved topological phases. As a specific example, by means of a lattice model, we show that a bilayer magnetic 2D second order topological insulator (SOTI) reveals an unrecognized spin-hybrid-order topological insulator after undergoing ferroelectric sliding. Interestingly, in such phase, the spin-up (top layer) and spin-down (bottom layer) channels exhibit first-order and second-order topological properties, respectively. Moreover, other topological phases such as SOTI, quantum spin Hall insulator, quantum anomalous Hall insulator, and trivial insulator can also emerge through changes in the parameters of the system, and the relevant topological indices are also discussed. In terms of materials, based on first principles calculations, we predict material ScI2 can serve as an ideal platform to realize our proposal. Further, we predict that the anomalous Nernst effect of these several topological phases exhibits distinct differences, and therefore can be used as a signal for experimentally probing.

cond-mat.mtrl-sci↗

arXiv2025

Essentially degenerate hidden nodal lines in two-dimensional magnetic layer groups

According to the theory of group representations, the types of band degeneracy can be divided into accidental degeneracy and essential degeneracy. The essentially degenerate nodal lines (NLs) are typically resided on the high-symmetry lines of the Brillouin zone. Here, we propose a type of NL in two dimension that is essentially degenerate but is hidden within the high-symmetry planes, making it less observable, dubbed a hidden-essential nodal line (HENL). The existence of HENL is guaranteed as long as the system hosts a horizontal glide-mirror symmetry, hence such NLs can be widely found in both non-magnetic and magnetic systems. We perform an exhaustive search over all 528 magnetic layer groups (MLGs) for HENL that can be enforced by glide-mirror symmetry with both spinless and spinfull systems. We find that 122 candidate MLGs host spinless HENL, while 63 candidate MLGs demonstrate spinful HENL. In addition, we reveal that horizontal mirror and time-reversal symmetry in type-II and type-IV MLGs with spin-orbital coupling can enforce HENL formed. The 15 corresponding candidate MLGs have also been presented. Furthemore, we derive a few typical lattice models to characterize the existence for the HENL. For specific electronic fillings in real materials, namely 4$N$+2 in spinless systems (and 2$N$+1 in spinful systems), the presence of the HENLs in candidate MLGs is required regardless of the details of the systems. Using \emph{ab-initio} calculations, we further identify possible material candidates that realize spinless and spinful HENL. Moreover, spinful HENLs exhibit a novel persistent spin texture wih the characteristic of momentum-independent spin configuration. Our findings uncover a new type of topological semimetal state and offer an ideal platform to study the related physics of HENLs.

cond-mat.mtrl-sci↗

arXiv2024

Identifying topological excitonic insulators via bulk-edge correspondence

Excitonic insulator remains elusive and there has been a lack of reliable identification methods. In this work, we demonstrate the promise of topological excitonic insulators for identification due to their unique bulk-edge correspondence, as illustrated by the LiFe$X$ ($X$ = S, Se, and Te) family. First-principles Bethe-Salpeter equation calculations reveal excitonic instabilities in these spin-orbit coupling quantum anomalous Hall insulators. Effective Hamiltonian analyses indicate that spontaneous exciton condensation does not disrupt the gapless edge state but reconstructs the bulk-gap to be almost independent of the spin-orbit coupling strength. This change in the bulk-edge correspondence can be experimentally inspected by angle-resolved photoelectron spectroscopy or electron compressibility measurements, providing observational evidence for the identification of topological excitonic insulators. Moreover, exciton condensation raises the critical temperature of the topological nontrivial phase above room temperature.

cond-mat.str-el↗

arXiv2024

Balancing chemical equations: form the perspective of Hilbert basis

The balancing of chemical equations is a basic problem in chemistry. A commonly employed method is to convert the task to a linear algebra problem, and then solve the null space of the constructed formula matrix. However, in this method, the directly obtained solution may be invalid, and there is no canonical choice of independent basis reactions. Here, we show that these drawbacks originate from the fact that the fundamental structure of solutions here is not a linear space but a positive affine monoid. This new understanding enables a systematic approach and a complete description of all possible reactions by a unique set of independent elementary reactions, called Hilbert-basis reactions. By clarifying its underlying mathematical structure, our work offers a new perspective on this old problem of balancing chemical equations.

physics.chem-ph↗

arXiv2024

Hilbert band complexes and their applications

The study of band connectivity is a fundamental problem in condensed matter physics. Here, we develop a new method for analyzing band connectivity, which completely solves the outstanding questions of the reducibility and decomposition of band complexes. By translating the symmetry conditions into a set of band balance equations, we show that all possible band structure solutions can be described by a positive affine monoid structure, which has a unique minimal set of generators, called Hilbert basis. We show that Hilbert basis completely determine whether a band complex is reducible and how it can be decomposed. The band complexes corresponding to Hilbert basis vectors, termed as Hilbert band complexes (HBCs), can be regarded as elementary building blocks of band structures. We develop algorithms to construct HBCs, analyze their graph features, and merge them into large complexes. We find some interesting examples, such as HBCs corresponding to complete bipartite graphs, and complexes which can grow without bound by successively merging a HBC.

cond-mat.mes-hall↗

arXiv2024

Ideal spin-polarized Weyl-half-semimetal with a single pair of Weyl points in half-Heusler compounds XCrTe (X=K, Rb)

Realizing ideal Weyl semimetal state with a single pair of Weyl points has been a long-sought goal in the field of topological semimetals. Here, we reveal such a state in the Cr-based half-Heusler compounds XCrTe (X=K, Rb). We show that these materials have a half metal ground state, with Fermi level crossing only one spin channel. Importantly, the Fermi surface is clean, consisting of the minimal number (i.e., a single pair) of spin-polarized Weyl points, so the state represents an ideal Weyl half semimetal. We show that the locations of the two Weyl points and the associated Chern vector can be flexibly tuned by rotating the magnetization vector. The minimal surface Fermi arc pattern and its contribution to anomalous Hall transport are discussed. Our finding offers an ideal material platform for exploring magnetic Weyl fermions, which will also facilitate the interplay between Weyl physics and spintronics.

cond-mat.mes-hall↗

arXiv2023

Magnetic eight-fold nodal-point and nodal-network fermions in MnB2

Realizing topological semimetal states with novel emergent fermions in magnetic materials is a focus of current research. Based on first-principle calculations and symmetry analysis, we reveal interesting magnetic emergent fermions in an existing material MnB2. In the temperature range from 157 K to 760 K, MnB2 is a collinear antiferromagnet. We find the coexistence of eightfold nodal points and nodal net close to the Fermi level, which are protected by the spin group in the absence of spin-orbit coupling. Depending on the Neel vector orientation, consideration of spin-orbit coupling will either open small gaps at these nodal features, or transform them into magnetic linear and quadratic Dirac points and nodal rings. Below 157 K, MnB2 acquires weak ferromagnetism due to spin tilting. We predict that this transition is accompanied by a drastic change in anomalous Hall response, from zero above 157 K to 200 $Ω\cdot \text{cm}^{-1}$ below 157 K.

cond-mat.mtrl-sci↗

arXiv2023

Quadratic nodal point in a two-dimensional noncollinear antiferromagnet

Quadratic nodal point (QNP) in two dimensions has so far been reported only in nonmagnetic materials and in the absence of spin-orbit coupling. Here, by first-principles calculations and symmetry analysis, we predict stable QNP near Fermi level in a two-dimensional kagome metal-organic framework material, Cr$_3$(HAB)$_2$, which features noncollinear antiferromagnetic ordering and sizable spin-orbit coupling. Effective kp and lattice models are constructed to capture such magnetic QNPs. Besides QNP, we find Cr$_3$(HAB)$_2$ also hosts six magnetic linear nodal points protected by mirror as well as $C_{2z}T$ symmetry. Properties associated to these nodal points, such as topological edge states and quantized optical absorbance, are discussed.

cond-mat.mes-hall↗

arXiv2023

Upper bound of a band complex

Band structure for a crystal generally consists of connected components in energy-momentum space, known as band complexes. Here, we explore a fundamental aspect regarding the maximal number of bands that can be accommodated in a single band complex. We show that in principle a band complex can have no finite upper bound for certain space groups. It means infinitely many bands can entangle together, forming a connected pattern stable against symmetry-preserving perturbations. This is demonstrated by our developed inductive construction procedure, through which a given band complex can always be grown into a larger one by gluing a basic building block to it. As a by-product, we demonstrate the existence of arbitrarily large accordion type band structures containing $N_C=4n$ bands, with $n\in\mathbb{N}$.

cond-mat.mtrl-sci↗

arXiv2023

Cornertronics in Two-Dimensional Second-Order Topological Insulators

Traditional electronic devices rely on the electron's intrinsic degrees of freedom (d.o.f.) to process information. However, additional d.o.f. like the valley, can emerge in the low-energy states of certain systems. Here, we show that the quantum dots (QDs) constructed from two-dimensional (2D) second-order topological insulators (SOTI) posses a new kind of d.o.f., namely corner freedom, related to the topological corner states that reside at different corners of the systems. Since the corner states are well separated in real space, they can be individually and intuitively manipulated, giving rise to the concept of cornertronics. Via symmetry analysis and material search, we identify the TiSiCO-family monolayers as the first prototype of cornertronics materials, where the corner states can be controlled by both electric and optical fields, due to novel corner-layer coupling (CLC) effect and corner-contrasted linear dichroism. Furthermore, we find that the band gap of the TiSiCO nanodisk lies in the terahertz region and is robust to size reduction. These results indicate that the TiSiCO nanodisks can be used to design terahertz devices with ultrasmall size and electric-field tunable band gap. Besides, the TiSiCO nanodisks are simultaneously sensitive to both the strength and polarization of the terahertz waves. Our findings not only pave the way for cornertronics, but also open a new direction for research in 2D SOTI, QD and terahertz electronics.

cond-mat.mes-hall↗

arXiv2023

Three-dimensional real Chern insulator in bulk $γ$-graphyne

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 $γ$-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.

cond-mat.mtrl-sci↗

arXiv2023

Accurate recipe for predicting valley Linear Weyl phonons in two dimensions

The discovery of topological quantum states in two-dimensional (2D) systems is one of the most promising advancements in condensed matter physics. Linear Weyl point (LWP) phonons have been theoretically investigated in some 2D materials. Especially, Jin, Wang, and Xu [Nano Lett. 2018, 18, 12, 7755-7760] proposed in 2018 that the candidates with threefold rotational symmetry at the corners of the hexagonal Brillouin zone can host LWP phonons with a quantized valley Berry phase. However, all the candidates with hexagonal lattices may not host LWP phonons at $K$ ($K'$) high-symmetry points (HSPs). Hence, a more accurate recipe for LWP phonons in 2D is highly required. This work provides an exhaustive list of valley LWP phonons at HSPs in 2D by searching the entire 80 layer groups (LGs). We found that the valley LWP phonons can be obtained at HSPs in 11 of the 80 LGs. Guided by the symmetry analysis, we also contributed to realizing the ideal 2D material with valley LWP phonons. We identified the existence of the valley LWP phonons in eleven 2D material candidates with 11 LGs. This work offers a method to search for valley LWPs in 2D phononic systems and proposes 2D material candidates to obtain the valley LWP phonons.

cond-mat.mtrl-sci↗

arXiv2023

Berry curvature dipole and nonlinear Hall effect in two-dimensional Nb$_{2n+1}$Si$_n$Te$_{4n+2}$

Recent experiments have demonstrated interesting physics in a family of two-dimensional (2D) composition-tunable materials Nb$_{2n+1}$Si$_n$Te$_{4n+2}$. Here, we show that owing to its intrinsic low symmetry, metallic nature, tunable composition, and ambient stability, these materials offer a good platform for studying Berry curvature dipole (BCD) and nonlinear Hall effect. Using first-principles calculations, we find that BCD exhibits pronounced peaks in monolayer Nb$_{3}$SiTe$_{6}$ ($n=1$ case). Its magnitude decreases monotonically with $n$ and completely vanishes in the $n\rightarrow\infty$ limit. This variation manifests a special hidden dimensional crossover of the low-energy electronic states in this system. The resulting nonlinear Hall response from BCD in these materials is discussed. Our work reveals pronounced geometric quantities and nonlinear transport physics in Nb$_{2n+1}$Si$_n$Te$_{4n+2}$ family materials, which should be readily detected in experiment.

cond-mat.mtrl-sci↗