arXiv subjects

Shengyuan A. Yang

Publications and source records attributed to Shengyuan A. Yang.

At least 109 records · Page 6Linked to original sources

arXiv2022

High-performance and Low-power Transistors Based on Anisotropic Monolayer $β$-TeO$_2$

Two-dimensional (2D) semiconductors offer a promising prospect for high-performance and energy-efficient devices especially in the sub-10 nm regime. Inspired by the successful fabrication of 2D $β$-TeO$_2$ and the high on/off ratio and high air-stability of fabricated field effect transistors (FETs) [Nat. Electron. 2021, 4, 277], we provide a comprehensive investigation of the electronic structure of monolayer $β$-TeO$_2$ and the device performance of sub-10 nm metal oxide semiconductors FETs (MOSFETs) based on this material. The anisotropic electronic structure of monolayer $β$-TeO$_2$ plays a critical role in the anisotropy of transport properties for MOSFETs. We show that the 5.2-nm gate-length n-type MOSFET holds an ultra-high on-state current exceeding 3700 μA/μm according to International Roadmap for Devices and Systems (IRDS) 2020 goals for high-performance devices, which is benefited by the highly anisotropic electron effective mass. Moreover, monolayer $β$-TeO$_2$ MOSFETs can fulfill the IRDS 2020 goals for both high-performance and low-power devices in terms of on-state current, sub-threshold swing, delay time, and power-delay product. This study unveils monolayer $β$-TeO$_2$ as a promising candidate for ultra-scaled devices in future nanoelectronics.

cond-mat.mes-hall↗

arXiv2022

Systematic investigation of emergent particles in type-III magnetic space groups

In three-dimensional (3D) crystals, emergent particles arise when two or multiple bands contact and form degeneracy (band crossing) in the Brillouin zone. Recently a complete classification of emergent particles in 3D nonmagnetic crystals, which described by the type-II magnetic space groups (MSGs), has been established. However, a systematic investigation of emergent particles in magnetic crystals has not yet been performed, due to the complexity of the symmetries of magnetically ordered structures. Here, we address this challenging task by exploring the possibilities of the emergent particles in the 674 type-III MSGs. Based on effective k.p Hamiltonian and our classification of emergent particles [Yu et al., Sci. Bull. 67, 375 (2022) DOI:10.1016/j.scib.2021.10.023], we identify all possible emergent particles, including spinful and spinless, essential and accidental particles in the type-III MSGs. We find that all emergent particles in type-III MSGs also exist in type-II MSGs, with only one exception, i.e. the combined quadratic nodal line and nodal surface (QNL/NS). Moreover, tabulations of the emergent particles in each of the 674 type-III MSGs, together with the symmetry operations, the small corepresentations, the effective k.p Hamiltonians, and the topological character of these particles, are explicitly presented. Remarkably, combining this work and our homemade SpaceGroupIrep and MSGCorep packages will provide an effcient way to search topological magnetic materials with novel quasiparticles.

cond-mat.mtrl-sci↗

arXiv2022

Tensor Theory for Higher Dimensional Chern Insulators with Large Chern Numbers

Recent advances in topological artificial systems open the door to realizing topological states in dimensions higher than the usual three-dimensional space. Here, we present a "tensor product" theory, which offers a method to construct Chern insulators with arbitrarily high dimensions and Chern numbers. Particularly, we show that the tensor product of a $d_A$D Chern insulator $\langle \mathcal{H}_A^{(κ_{A})}, C_A\rangle$ with a $d_B$D Chern insulator $\langle \mathcal{H}_B^{(κ_B)}, C_B\rangle$ leads to a $(d_A+d_B)$D Chern insulator $\langle \mathcal{H}_{A B}^{(κ_A\star κ_B)},-2C_AC_B\rangle $, where in the brackets, $\mathcal{H}^{(κ)}$ is the $d$D Hamiltonian with $d$ even, $C$ is the corresponding $(d/2)$th Chern number, and $κ$ labels the five non-chiral Altland-Zirnbauer symmetry classes A, AI, D, AII and C. The four real classes AI, D, AII and C form a Klein four-group under the multiplication `$\star$' with class AI the identity, and class A is the zero element. Our theory leads to novel higher-dimensional topological physics. (i) The construction can generate large higher-order Chern numbers, e.g., for some cases the resultant classification is $8\mathbb{Z}$. (ii) Fascinatingly, the boundary states feature flat nodal hypersurfaces with nontrivial Chern charges. For the constructed $(d_A+d_B)$D Chern insulator, a boundary perpendicular to a direction of $\mathcal{H}_A$ generically hosts $|C_A|$ $d_B$D nodal hypersurfaces, each of which has topological charge $\pm 2C_B$. Under perturbations, each nodal hypersurface bursts into stable unit nodal points, with the total Chern charge conserved. Examples are given to demonstrate our theory, which can be experimentally realized in artificial systems such as acoustic crystals, electric circuit arrays, ultracold atoms, or mechanical networks.

cond-mat.mes-hall↗

arXiv2022

Berry connection polarizability tensor and third-order Hall effect

One big achievement in modern condensed matter physics is the recognition of the importance of various band geometric quantities in physical effects. As prominent examples, Berry curvature and the Berry curvature dipole are connected to the linear and the second-order Hall effects, respectively. Here, we show that the Berry connection polarizability (BCP) tensor, as another intrinsic band geometric quantity, plays a key role in the third-order Hall effect. Based on the extended semiclassical formalism, we develop a theory for the third-order charge transport and derive explicit formulas for the third-order conductivity. Our theory is applied to the two-dimensional (2D) Dirac model to investigate the essential features of the BCP and the third-order Hall response. We further demonstrate the combination of our theory with the first-principles calculations to study a concrete material system, the monolayer FeSe. Our work establishes a foundation for the study of third-order transport effects, and reveals the third-order Hall effect as a tool for characterizing a large class of materials and for probing the BCP in band structure.

cond-mat.mes-hall↗

arXiv2022

Intrinsic Nonlinear Spin Magnetoelectricity in Centrosymmetric Magnets

We propose an intrinsic nonlinear spin magnetoelectric effect in magnetic materials, offering the potential of all-electric control of spin degree of freedom in centrosymmetric magnets, which reside outside of the current paradigm based on linear spin response. We reveal the band geometric origin of this effect in the momentum and magnetization space Berry connection polarizabilities, and clarify its symmetry characters. As an intrinsic effect, it is determined solely by the material's band structure and represents a material characteristic. Combining our theory with first-principles calculations, we predict sizable nonlinear spin magnetoelectricity in single-layer MnBi$_{2}$Te$_{4}$, which can be detected in experiment. Our theory paves the way for exploring rich nonlinear spintronic effects and novel device concepts based on them.

cond-mat.mes-hall↗

arXiv2021

Second-Order Real Nodal-Line Semimetal in Three-Dimensional Graphdiyne

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.

cond-mat.mtrl-sci↗

arXiv2021

Encyclopedia of emergent particles in type-IV magnetic space groups

The research on emergent particles in condensed matters has been attracting tremendous interest, and recently it is extended to magnetic systems. Here, we study the emergent particles stabilized by the symmetries of type-IV magnetic space groups (MSGs). Type-IV MSGs feature a special time reversal symmetry $\{\mathcal{T}|\boldsymbol{t}_0\}$, namely, the time reversal operation followed by a half lattice translation, which significantly alters the symmetry conditions for stabilizing the band degeneracies. In this work, based on symmetry analysis and modeling, we present a complete classification of emergent particles in type-IV MSGs by studying all possible (spinless and spinful, essential and accidental) particles in each of the 517 type-IV MSGs. Particularly, the detailed correspondence between the emergent particles and the type-IV MSGs that can host them are given in easily accessed interactive tables, where the basic information of the emergent particles, including the symmetry conditions, the effective Hamiltonian, the band dispersion and the topological characters can be found. According to the established encyclopedia, we find that several emergent particles that are previously believed to exist only in spinless systems will occur in spinful systems here, and vice versa, due to the $\{{\cal T}|\boldsymbol{t}_{0}\}$ symmetry. Our work not only deepens the understanding of the symmetry conditions for realizing emergent particles but also provides specific guidance for searching and designing materials with target particles.

cond-mat.mtrl-sci↗

arXiv2021

Monolayer RhB4: half-auxeticity and almost ideal spin-orbit Dirac point semimetal

Structural-property relationship, the connection between materials' structures and their properties, is central to the materials research. Especially at reduced dimensions, novel structural motifs often generate unique physical properties.Motivated by a recent work reporting a novel half auxetic effect in monolayer PdB4 with a hypercoordinated structure, here, we extensively explore similar 2D transition metal boride structures MB4 with M covering 3d and 4d elements.Our investigation screens out one stable candidate, the monolayer RhB4. We find that monolayer RhB4 also shows half auxeticity, i.e., the material always expands in a lateral in-plane direction in response to an applied strain in the other direction, regardless of whether the strain is positive or negative.We show that this special mechanical character is intimately tied to the hypercoordinated structure with the M\c{opyright}B8 structural motif. Furthermore, regarding electronic properties, monolayer RhB4 is found to be the first example of an almost ideal 2D spin-orbit Dirac point semimetal.The low-energy band structure is clean, with a pair of fourfold degenerate Dirac points robust under spin-orbit coupling located close to the Fermi level. These Dirac points are enforced by the nonsymmorphic space group symmetry which is also determined by the lattice structure. Our work deepens the fundamental understanding of structural-property relationship in reduced dimensions. The half auxeticity and the spin-orbit Dirac points will make monolayer RhB4 a promising platform for nanomechanics and nanoelectronics applications.

cond-mat.mtrl-sci↗

arXiv2021

Chiral phonons in a square lattice

Chiral phonons were initially proposed and further verified experimentally in two-dimensional (2D) hexagonal crystal lattices. Many intriguing features brought about by chiral phonons are attributed to the pseudo-angular momenta which are associated with the threefold rotational symmetry of hexagonal lattices. Here, we go beyond the hexagonal crystals and investigate the chiral phonons in systems with fourfold rotational symmetry. We clarify the symmetry requirements for the emergence of chiral phonons in both 2D square lattices and 3D tetragonal lattices. For 2D, the realization of $C_4$ chiral phonons requires the breaking of time-reversal symmetry; while for 3D, they can exist on the $C_4$-invariant path in a chiral tetragonal lattice. These phonons have the advantage that they can be more readily coupled with optical transitions, which facilitates their experimental detection. We demonstrate our idea via model analysis and first-principles calculations of concrete materials, including the MnAs monolayer and the $α$-cristobalite. Our work reveals chiral phonons beyond the hexagonal lattices and paves the way for further exploration of chiral phonon physics in square/tetragonal materials and metamaterials.

cond-mat.mtrl-sci↗

arXiv2021

Multiple magnetism controlled topological states in EuAgAs

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.

cond-mat.mtrl-sci↗

arXiv2021

Takagi topological insulator with odd $\mathcal P\mathcal T$ pairs of corner states

We present a novel class of topological insulators, termed the Takagi topological insulators (TTIs), which is protected by the sublattice symmetry and spacetime inversion ($\mathcal P\mathcal T$) symmetry. The required symmetries for the TTIs can be realized on any bipartite lattice where the inversion exchanges sublattices. The protecting symmetries lead to the classifying space of Hamiltonians being unitary symmetric matrices, and therefore Takagi's factorization can be performed. Particularly, the global Takagi's factorization can (cannot) be done on a $3$D ($2$D) sphere. In 3D, there is a $\mathbb{Z}_2$ topological invariant corresponding to the parity of the winding number of Takagi's unitary-matrix factor over the entire Brillouin zone, where the $\mathbb Z_2$ nature comes from the $O(N)$ gauge degrees of freedom in Takagi's factorization. In 2D, the obstruction for a global Takagi's factorization is characterized by another $\mathbb{Z}_2$ topological invariant, equivalent to the second Stiefel-Whitney number. For the third-order topological phases, the $3$D TTIs feature a parity condition for corner zero-modes, i.e., there always exist odd $\mathcal P\mathcal T$ pairs of corners with zero-modes. Moreover, for any $\mathcal P\mathcal T$ invariant sample geometry, all configurations of corner zero-modes satisfying the parity condition can exist with the same nontrivial bulk topological invariant. Actually, without closing the bulk gap, the boundary phase diagram have a cellular structure, where each topological boundary phase associated with a particular (cross-order) boundary-mode pattern corresponds to a contractible cell with certain dimension in the parameter space.

cond-mat.mes-hall↗

arXiv2021

Observation of Unpinned Two-Dimensional Dirac States in Antimony Single Layers with Phosphorene Structure

The discovery of graphene has stimulated enormous interest in two-dimensional (2D) electron gas with linear band structure. 2D Dirac materials possess many intriguing physical properties such as high carrier mobility and zero-energy Landau level thanks to the relativistic dispersion and chiral spin/pseudospin texture. 2D Dirac states discovered so far are exclusively pinned at high-symmetry points of the Brillouin zone, for example, surface Dirac states at $\overlineΓ$ in topological insulators Bi$_2$Se(Te)$_3$ and Dirac cones at $K$ and $K'$ in graphene. In this work, we report the realization of 2D Dirac states at generic $k$-points in antimony atomic layers with phosphorene structure ($i.e.$ $α$-antimonene). The unpinned nature enables versatile ways to control the locations of the Dirac points in momentum space. In addition, dispersions around the unpinned Dirac points exhibit intrinsically anisotropic behaviors due to the reduced symmetry of generic momentum points. These properties make the $α$-antimonene films a promising platform for exploring interesting physics in unpinned 2D Dirac fermions that are distinct from the conventional Dirac states in graphene.

cond-mat.mes-hall↗

arXiv2021

Observation of Symmetry-Protected Dirac States in Nonsymmorphic $α$-Antimonene

Two-dimensional (2D) Dirac states with linear band dispersion have attracted enormous interest since the discovery of graphene. However, to date, 2D Dirac semimetals are still very rare due to the fact that 2D Dirac states are generally fragile against perturbations such as spin-orbit couplings. Nonsymmorphic crystal symmetries can enforce the formation of Dirac nodes, providing a new route to establishing symmetry-protected Dirac states in 2D materials. Here we report the symmetry-protected Dirac states in nonsymmorphic alpha-antimonene. The antimonene was synthesized by the method of molecular beam epitaxy. Two Dirac cones with large anisotropy were observed by angle-resolved photoemission spectroscopy. The Dirac state in alpha-antimonene is of spin-orbit type in contrast to the spinless Dirac states in graphene. The result extends the 'graphene' physics into a new family of 2D materials where spin-orbit coupling is present.

cond-mat.mes-hall↗

arXiv2021

Chiral Phonons in Chiral Materials

The concept of chirality makes ubiquitous appearance in nature. Particularly, both a structure and its collective excitations may acquire well defined chiralities. In this work, we reveal an intrinsic connection between the chiralities of a crystal structure and its phonon excitations. We show that the phonon chirality and its propagation direction are strongly coupled with the lattice chirality, which will be reversed when a chiral lattice is switched to its enantiomorph. In addition, distinct from achiral lattices, propagating chiral phonons exist for chiral crystals also on the principal axis through the $Γ$ point, which strengthens its relevance to various physical processes. We demonstrate our theory with a 1D helix-chain model and with a concrete and important 3D material, the $α$-quartz. We predict a chirality diode effect in these systems, namely, at certain frequency window, a chiral signal can only pass the system in one way but not the other, specified by the system chirality. Experimental setups to test our theory are proposed. Our work discovers fundamental physics of chirality coupling between different levels of a system, and the predicted effects will provide a new way to control thermal transport and design information devices.

cond-mat.mtrl-sci↗

arXiv2021

Correlation-driven topological and valley states in monolayer VSi$_{2}$P$_{4}$

Electronic correlations could have significant impact on the material properties. They are typically pronounced for localized orbitals and enhanced in low-dimensional systems, so two-dimensional (2D) transition metal compounds could be a good platform to study their effects. Recently, a new class of 2D transition metal compounds, the MoSi$_2$N$_4$-family materials, have been discovered, and some of them exhibit intrinsic magnetism. Here, taking monolayer VSi$_{2}$P$_{4}$ as an example from the family, we investigate the impact of correlation effects on its physical properties, based on the first-principles calculations. We find that different correlation strength can drive the system into a variety of interesting ground states, with rich magnetic, topological and valley features. With increasing correlation strength, while the system favors a ferromagnetic semiconductor state for most cases, the magnetic anisotropy and the band gap type undergo multiple transitions, and in the process, the band edges can form single, two or three valleys for electrons or holes. Remarkably, there is a quantum anomalous Hall (QAH) insulator phase, which has a unit Chern number. The boundary of the QAH phase correspond to the half-valley semimetal state with fully valley polarized bulk carriers. We further show that for phases with the out-of-plane magnetic anisotropy, the interplay between spin-orbit coupling and orbital character of valleys enable an intrinsic valley polarization for electrons but not for holes. This electron valley polarization can be switched by reversing the magnetization direction, providing a new route of magnetic control of valleytronics. Our result sheds light on the possible role of correlation effects in the 2D transition metal compounds, and it will open new perspectives for spintronic, valleytronic and topological nanoelectronic applications based on these materials.

cond-mat.mtrl-sci↗

arXiv2021

The gauge-field extended $k\cdot p$ method and novel topological phases

Although topological artificial systems, like acoustic/photonic crystals and cold atoms in optical lattices were initially motivated by simulating topological phases of electronic systems, they have their own unique features such as the spinless time-reversal symmetry and tunable $\mathbb{Z}_2$ gauge fields. Hence, it is fundamentally important to explore new topological phases based on their unique features. Here, we point out that the $\mathbb{Z}_2$ gauge field leads to two fundamental modifications of the conventional $k\cdot p$ method: (i) The little co-group must include the translations with nontrivial algebraic relations; (ii) The algebraic relations of the little co-group are projectively represented. These give rise to higher-dimensional irreducible representations and therefore highly degenerate Fermi points. Breaking the primitive translations can transform the Fermi points to interesting topological phases. We demonstrate our theory by two models: a rectangular $π$-flux model exhibiting graphene-like semimetal phases, and a graphite model with interlayer $π$ flux that realizes the real second-order nodal-line semimetal phase with hinge helical modes. Their physical realizations with a general bright-dark mechanism are discussed. Our finding opens a new direction to explore novel topological phases unique to artificial systems and establishes the approach to analyze these phases.

cond-mat.other↗

arXiv2021

Projectively enriched symmetry and topology in acoustic crystals

Symmetry plays a key role in modern physics, as manifested in the revolutionary topological classification of matter in the past decade. So far, we seem to have a complete theory of topological phases from internal symmetries as well as crystallographic symmetry groups. However, an intrinsic element, i.e., the gauge symmetry in physical systems, has been overlooked in the current framework. Here, we show that the algebraic structure of crystal symmetries can be projectively enriched due to the gauge symmetry, which subsequently gives rise to new topological physics never witnessed under ordinary symmetries. We demonstrate the idea by theoretical analysis, numerical simulation, and experimental realization of a topological acoustic lattice with projective translation symmetries under a $Z_2$ gauge field, which exhibits unique features of rich topologies, including a single Dirac point, Möbius topological insulator and graphene-like semimetal phases on a rectangular lattice. Our work reveals the impact when gauge and crystal symmetries meet together with topology, and opens the door to a vast unexplored land of topological states by projective symmetries.

cond-mat.mes-hall↗

arXiv2021

Intrinsic Second-Order Anomalous Hall Effect and Its Application in Compensated Antiferromagnets

Response properties that are purely intrinsic to physical systems are of paramount importance in physics research, as they probe fundamental properties of band structures and allow quantitative calculation and comparison with experiment. For anomalous Hall transport in magnets, an intrinsic effect can appear at the second order to the applied electric field. We show that this intrinsic second-order anomalous Hall effect is associated with an intrinsic band geometric property -- the dipole moment of Berry-connection polarizability (BCP) in momentum space. The effect has scaling relation and symmetry constraints that are distinct from the previously studied extrinsic contributions. Particularly, in antiferromagnets with $\mathcal{PT}$ symmetry, the intrinsic effect dominates. Combined with first-principles calculations, we demonstrate the first quantitative evaluation of the effect in the antiferromagnet Mn$_{2}$Au. We show that the BCP dipole and the resulting intrinsic second-order conductivity are pronounced around band near degeneracies. Importantly, the intrinsic response exhibits sensitive dependence on the Néel vector orientation with a $2π$ periodicity, which offers a new route for electric detection of the magnetic order in $\mathcal{PT}$-invariant antiferromagnets.

cond-mat.mes-hall↗