Topological Properties in Strained Monolayer Antimony Iodide

Two-dimensional(2D)topological insulators present a special phase of matter manifesting unique electronic properties.Till now,many monolayer binary compounds of Sb element,mainly with a honeycomb lattice,have been reported as 2D topological insulators.However,research of the topological insulating properties of the monolayer Sb compounds with square lattice is still lacking.Here,by means of the first-principles calculations,a monolayer SbI with square lattice is proposed to exhibit the tunable topological properties by applying strain.At different levels of the strain,the monolayer SbI shows two different structural phases:buckled square structure and buckled rectangular structure,exhibiting attracting topological properties.We find that in the buckled rectangular phase,when the strain is greater than 3.78%,the system experiences a topological phase transition from a nontrivial topological insulator to a trivial insulator,and the structure at the transition point actually is a Dirac semimetal possessing two type-ⅠDirac points.In addition,the system can achieve the maximum global energy gap of 72.5 meV in the topological insulator phase,implying its promising application at room temperature.This study extends the scope of 2D topological physics and provides a platform for exploring the low-dissipation quantum electronics devices.

Angular and planar transport properties of antiferromagnetic V_(5)S_(8)

Systemically angular and planar transport investigations are performed in layered antiferromagnetic(AF)V_(5)S_(8).In this AF system,obvious anomalous Hall effect(AHE)is observed with a large Hall angle of 0.1 compared to that in ferromagnetic(FM)system.It can persist to the temperatures above AF transition and exhibit strong angular field dependence.The phase diagram reveals various magnetic states by rotating the applied field.By analyzing the anisotropic transport behavior,magnon contributions are revealed and exhibit obvious angular dependence with a spin-flop vanishing line.The observed prominent planar Hall effect and anisotropic magnetoresisitivity exhibit two-fold systematical angular dependent oscillations.These behaviors are attributed to the scattering from spin–orbital coupling instead of nontrivial topological origin.Our results reveal anisotropic interactions of magnetism and electron in V5S8,suggesting potential opportunities for the AF spintronic sensor and devices.

Correlation mechanism of friction behavior and topological properties of the contact network during powder compaction

The effect of friction behavior on the compacted density is significant, but the relationship between the topological properties of the contact network and friction behavior during powder compaction remains unclear. Based on the discrete element method (DEM), a DEM model for die compaction was established, and the Hertz contact model was modified into an elastoplastic contact model that was more suitable for metal-powder compaction. The evolution of the topological properties of the contact network and its mechanism during powder compaction was explored using the elastoplastic contact model. The results demonstrate that the friction behavior between the particles is closely related to the topological properties of the contact network. Side wall friction results in smaller clustering coefficient (CC) and excess contact (EC) in the lower region near the side wall. Corresponding to this phenomenon, the upper region near the side wall has more high-stress particles when the major principal stress threshold was considered, and the CC and EC are significantly higher than those in the other regions. This study provides a theoretical basis for improving powder compaction behavior.

Two-dimensional MX Dirac materials and quantum spin Hall insulators with tunable electronic and topological properties

We propose a novel class of two-dimensional(2D)Dirac materials in the MX family(M=Be,Mg,Zn and Cd,X=Cl,Br and I),which exhibit graphene-like band structures with linearly-dispersing Dirac-cone states over large energy scales(0.8–1.8 eV)and ultra-high Fermi velocities comparable to graphene.Spin-orbit coupling opens sizable topological band gaps so that these compounds can be effectively classified as quantum spin Hall insulators.The electronic and topological properties are found to be highly tunable and amenable to modulation via anion-layer substitution and vertical electric field.Electronic structures of several members of the family are shown to host a Van-Hove singularity(VHS)close to the energy of the Dirac node.The enhanced density-of-states associated with these VHSs could provide a mechanism for inducing topological superconductivity.The presence of sizable band gaps,ultra-high carrier mobilities,and small effective masses makes the MX family promising for electronics and spintronics applications.

SOME TOPOLOGICAL PROPERTIES OF BENZENOID S_n，T_n－ISOMERS WITH n－RADICAL CONNECTION

We consider a series of benzenoid isomers obtained by attaching fragments to an mradical. Some of their topological properties, such as the number of Kekule patterns and the maximum number of aromatic π-sextets are established.

Combining Topological Properties and Strong Ties for Link Prediction

Link prediction is an important task that estimates the probability of there being a link between two disconnected nodes. The similarity-based algorithm is a very popular method that employs the node similarities to find links. Most of these types of algorithms focus only on the contribution of common neighborhoods between two nodes. In sociological theory relationships within three degrees are the strong ties that can trigger social behaviors.Thus, strong ties can provide more connection opportunities for unconnected nodes in the networks. As critical topological properties in networks, nodes degrees and node clustering coefficients are well-suited for describing the tightness of connections between nodes. In this paper, we characterize node similarity by utilizing the strong ties of the ego network（i.e., paths within three degrees） and its close connections（node degrees and node clustering coefficients）. We propose a link prediction algorithm that combines topological properties with strong ties, which we called the TPSR algorithm. This algorithm includes TPSR2, TPSR3, and the TPSR4 indices. We evaluate the performance of the proposed algorithm using the metrics of precision and the Area Under the Curve（AUC）. Our experimental results show the TPSR algorithm to perform remarkably better than others.

Influence of Device Geometry on Transport Properties of Topological Insulator Microflakes

In the transport studies of topological insulators, microflakes exfoliated from bulk single crystals are often used because of the convenience in sample preparation and the accessibility to high carrier mobilities. Here, based on finite element analysis, we show that for the non-Hall-bar shaped topological insulator samples, the measured four-point resistances can be substantially modified by the sample geometry, bulk and surface resistivities,and magnetic field. Geometry correction factors must be introduced for accurately converting the four-point resistances to the longitudinal resistivity and Hall resistivity. The magnetic field dependence of inhomogeneous current density distribution can lead to pronounced positive magnetoresistance and nonlinear Hall effect that would not exist in the samples of ideal Hall bar geometry.

Room temperature quantum anomalous Hall insulator in honeycomb lattice, RuCS_(3), with large magnetic anisotropy energy

The quantum anomalous Hall(QAH) effect has attracted enormous attention since it can induce topologically protected conducting edge states in an intrinsic insulating material. For practical quantum applications, the main obstacle is the non-existent room temperature QAH systems, especially with both large topological band gap and robust ferromagnetic order. Here, according to first-principles calculations, we predict the realization of the room temperature QAH effect in a two-dimensional(2D) honeycomb lattice, RuCS_(3) with a non-zero Chern number of C = 1. Especially, the nontrivial topology band gap reaches up to 336 me V for RuCS_(3). Moreover, we find that RuCS_(3) has a large magnetic anisotropy energy(2.065 me V) and high Curie temperature(696 K). We further find that the non-trivial topological properties are robust against the biaxial strain. The robust topological and magnetic properties make RuCS_(3) have great applications in room temperature spintronics and nanoelectronics.

Manufacturing enterprise collaboration network:An empirical research and evolutionary model

With the increasingly fierce market competition,manufacturing enterprises have to continuously improve their competitiveness through their collaboration and labor division with each other,i.e.forming manufacturing enterprise collaborative network(MECN)through their collaboration and labor division is an effective guarantee for obtaining competitive advantages.To explore the topology and evolutionary process of MECN,in this paper we investigate an empirical MECN from the viewpoint of complex network theory,and construct an evolutionary model to reproduce the topological properties found in the empirical network.Firstly,large-size empirical data related to the automotive industry are collected to construct an MECN.Topological analysis indicates that the MECN is not a scale-free network,but a small-world network with disassortativity.Small-world property indicates that the enterprises can respond quickly to the market,but disassortativity shows the risk spreading is fast and the coordinated operation is difficult.Then,an evolutionary model based on fitness preferential attachment and entropy-TOPSIS is proposed to capture the features of MECN.Besides,the evolutionary model is compared with a degree-based model in which only node degree is taken into consideration.The simulation results show the proposed evolutionary model can reproduce a number of critical topological properties of empirical MECN,while the degree-based model does not,which validates the effectiveness of the proposed evolutionary model.

Theoretical Studies on the Hydrogen Bonds of Different Position Action Mechanisms of Thymine with Uracil

In this research, the hydrogen bonds Y···H-X （X = C, N; Y = N, O） of thymine and uracil have been theoretically studied. The results show that hydrogen bond leads to bond length elongation and stretches the frequency red-shift of N-H···Y. Meanwhile, the C-H···O bonds shorten and stretch the frequency blue-shift. They all belong to traditional hydrogen bonds. The intermolecular charge transfer caused by the intermolecular hyperconjugation s＊（N–H） → n（Y） and intramolecular charge redistribution by intramolecular hyperconjugation σ（C-H） →σ＊（C-N） play important roles in the formation of hydrogen bonds. According to thejudgment standards proposed by Bader and Popelier, these hydrogen bonds have typical electron density topological properties. Electrostatic surface potential （ESP） is a useful physicochemical property of a molecule that provides insights into inter- and intramolecular associations, as well as the prediction of likely sites of electrophilic and nucleophilic metabolic attack.

Zeeman-Like Topologies in Special and General Theory of Relativity

This is a short review article in which we discuss and summarize the works of various researchers over past four decades on Zeeman topology and Zeeman-like topologies, which occur in special and general theory of relativity. We also discuss various properties and inter-relationship of these topologies.

Small-worldness of brain networks after brachial plexus injury: a resting-state functional magnetic resonance imaging study

Research on brain function after brachial plexus injury focuses on local cortical functional reorganization,and few studies have focused on brain networks after brachial plexus injury.Changes in brain networks may help understanding of brain plasticity at the global level.We hypothesized that topology of the global cerebral resting-state functional network changes after unilateral brachial plexus injury.Thus,in this cross-sectional study,we recruited eight male patients with unilateral brachial plexus injury（right handedness,mean age of 27.9±5.4years old）and eight male healthy controls（right handedness,mean age of 28.6±3.2）.After acquiring and preprocessing resting-state magnetic resonance imaging data,the cerebrum was divided into 90 regions and Pearson’s correlation coefficient calculated between regions.These correlation matrices were then converted into a binary matrix with affixed sparsity values of 0.1–0.46.Under sparsity conditions,both groups satisfied this small-world property.The clustering coefficient was markedly lower,while average shortest path remarkably higher in patients compared with healthy controls.These findings confirm that cerebral functional networks in patients still show smallworld characteristics,which are highly effective in information transmission in the brain,as well as normal controls.Alternatively,varied small-worldness suggests that capacity of information transmission and integration in different brain regions in brachial plexus injury patients is damaged.

A Dinuclear Cd(Ⅱ)Cluster-based Coordination Polymer:Synthesis,Structure and Luminescence Property

One two-dimensional coordination polymer with a formula of {[Cd（L）（imidazole）（H2O）]（H2O）}n（1） was obtained by the synthetic reactions in aqueous solution using a newly synthesized H2L（H2L = methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate） ligand.Compound1 crystallizes in monoclinic system,space group C2/c with a = 18.3176（11）,b = 8.5366（9）,c =8.4152（5）A,β = 101.789（6）°,V = 2797.1（3）A^3,Dc = 1.979 g/cm^3,C（10）H（12）N2O7SCd,Mr = 416.68 F（000） = 1648,μ = 1.745 mm^-1,F（000） = 1648,the final R = 0.0323 and wR = 0.0604 for 2604 observed reflections with I 〉 2s（I）.Structure analyses reveal that the compound is constructed by dinuclear Cd（Ⅱ） clusters bridged by two hydroxyl oxygens of L^2-anions,which features a two-dimensional network with 4-connected sql topology.Furthermore,the compound exhibits high thermal stability and intense fluorescent emission,and could be explored for potentia luminescent materials.

Topology and Photoluminescence Property of a Neodymium-carboxylate Coordination Polymer Based on a Tripodal Flexible Ligand

A new metal-organic coordination polymer {[Nd（tci）（H2O）2]·2H2O}n（1） has been synthesized based on the flexible tricarboxylate ligand tris（2-carboxyethyl）isocyanuric acid（H3tci） and structurally characterized by single-crystal X-ray diffraction analyses, elemental analysis, infrared spectra（IR）, powder X-ray diffraction（PXRD） and thermogravimetric analysis（TGA）. Complex 1 crystallizes in triclinic, space group P1 with a = 9.1648（11）, b = 9.3326（12）, c = 12.440（2） , C（12）H（20）N3O（13） Nd, Mr = 558.55, V = 886.9（2） 3, Z = 2, Dc = 2.092 g·cm-3, μ = 3.006 mm-1, F（000） = 554, 2.56〈θ〈25.00°, λ（Mo Kα） = 0.71073 , T = 293（2） K, the final R = 0.0662 and w R = 0.2071. X-ray diffraction analysis reveals that complex 1 is a two-dimensional layer, which is further assembled into a three-dimensional supramolecular architecture through hydrogen bonding interactions. The structure of complex 1 can be simplified as a rare 2-periodic uninodal {48·62} topology and a non-interpenetrating kgd topology. Furthermore, the thermal stability and photoluminescence property of 1 were investigated.

Silicene spintronics——A concise review

Spintronics involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. The fascinating spin-resolved properties of graphene motivate numerous researchers to study spintronics in graphene and other two-dimensional(2D) materials. Silicene, the silicon analog of graphene, is considered to be a promising material for spintronics. Here, we present a review of theoretical advances with regard to spin-dependent properties, including the electric field- and exchange field-tunable topological properties of silicene and the corresponding spintronic device simulations.

A 3-D Metal-organic Framework Mn(II) Complex with Ant Net Constructed from 3-Pyridin-4-yl-benzoic Acid

A new coordination polymer, [Mn(3,4-pybz)2]n·3(H2O)(1), has been hydrothermally synthesized from Mn Cl2·4H2O and an unsymmetrical 3-pyridin-4-yl-benzoic acid(3,4-Hpybz), and characterized by IR, elemental analysis, thermogravimetric analysis, and singlecrystal X-ray diffraction. In complex 1, each 3,4-pybz ligand represents a three-connected node to combine with the six-connected Mn(II) ions, generating a 3D binodal(3,6)-connected ant network. In addition, magnetic investigations reveal that complex 1 exhibits an antiferromagnetic behavior. According to the crystal structure, the full-geometrical optimization of complex 1 was carried out by using hybrid DFT methods at the B3LYP/6-31G(d) level. Meantime, the DFT-BS approach was applied to study the magnetic coupling behavior for complex 1, and the result reveals that the calculated exchange coupling constants J were in good agreement with the experimental data.

Syntheses and Crystal Structures of Two Coordination Polymers Based on a Flexible Ligand N,N'-Diacetic Acid Imidazolium

Two coordination compounds with a flexible ligand N,N？-diacetic acid imidazolium（HDAM）,{[Co（trans-DAM）（bipy）（H2O）2]（OH）·4H2O}n 1 and {[Cd（trans-DAM）（bipy）（H2O）]（NO3）？2H2O}n 2（bipy = 4,4＇-bipyridine）,were prepared and characterized by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic,space group P2/n with a = 7.589（6）,b = 11.444（2）,c = 12.894（3）（A°）,β = 90.99（3）°,V = 1119.8（4）（A°）^3,Z = 4,C8.5H14N2O5.5Co0.5,Mr = 261.68,Dc = 1.552 g/cm^3,F（000） = 546,μ = 0.832 mm^-1,the final R = 0.0657 and wR = 0.1958.Compound 2 crystallizes in the monoclinic C2 space group with a = 17.479（4）,b = 11.689（2）,c = 11.670（2）,β = 117.13（3）°,V = 2121.9（7）3,Z = 4,C17H21N5O10Cd,Mr = 567.79,Dc = 1.777 g/cm^3,F（000） = 1144,μ = 1.096 mm^-1,the final R = 0.0233 and wR = 0.0638.In 1,the Co（II） ions are linked by μ2-trans-DAM-and bipy ligands to build a 2D（4,4） rectangular grid layer,exhibiting a 4-connected sql net.As for 2,μ3-trans-DAM-and bipy bridge Cd（II） ions form a 2D double-layer,consisting of a couple of（4,4） grid layers,which can be viewed as a（3,4）-connected network.In both compounds,the 2D structures are stabilized by hydrogen bonding interactions to give 3D supramolecular frameworks.Additionally,FT-IR spectroscopy,UV-Visible spectroscopy,and the fluorescent properties are discussed.

A 3-fold Interpenetrated lvt Cd(Ⅱ) Network Constructed from 4-[(3-pyridyl)methylamino]benzoate Acid

A new three-dimensional（3D） coordination polymer, [Cd（L）2H2O]n·5nH2O 1 with 4-[（3-pyridyl）methylamino]benzoate acid（HL）, has been synthesized by slow evaporation solvent at room temperature, and structurally characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction. Compound 1 crystallizes in the tetragonal system, space group I-4, with a = 20.7937（16）, c = 13.515（2）, V = 5843.5（11） 3, C26H34CdN4O10, Mr = 674.97, Dc = 1.534 g/cm3, μ（MoKα） = 0.808 mm-1, F（000） = 2768, Z = 8, the final R = 0.0276 and wR = 0.0691 for 5323 observed reflections（I 〉 2σ（I））. The result of thermal analysis shows that 1 is stable under 290 ℃. Moreover, it exhibits blue photoluminescence at room temperature.

Topological Classification of Fractal Squares

A fractal square F is essentially a planar self-similar set satisfying the set equation F=(F+D)/n with n≥2 and D?{0,1,...,n-1}~2.In this paper,we study the topological classification of fractal squares in the case of n=4 and |D|=4.

Research on Modeling Approach of Brain Function Network Based on Anatomical Distance

The number of common neighbor between nodes is applied to the modeling of resting-state brain function network in order to analyze the effect of anatomical distance on the modeling of resting-state brain function network. Three models based on anatomical distance, the number of common neighbor, or anatomical distance and the number of common neighbor are designed. Basing on residuals creates the evaluation criteria for selecting the optimal brain function model network in each class model. The model is selected to simulate the human real brain function network by comparison with real data functional magnetic resonance imaging(f MRI)network. Finally, the result shows that the best model only is based on anatomical distance.